N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
C120H170N14O8S — CID 158221186
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCC(C)(C)CC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCC1CC1.CC(C)(C)CCC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCc1nccs1.CC(C)(C)Cc1cccc(C(=O)N2CCc3ccccc32)c1.CC(C)(C)Cc1cccc(C(=O)N2Cc3ccccc3C2)c1.CN(CCc1ccccn1)C(=O)c1cccc(CC(C)(C)C)c1.Cc1cnc(CNC(=O)CCC(C)(C)C)cn1
InChIInChI=1S/C20H26N2O.2C20H23NO.C13H21N3O.C13H20N2O.C12H18N2O.C11H18N2OS.C11H21NO/c1-20(2,3)15-16-8-7-9-17(14-16)19(23)22(4)13-11-18-10-5-6-12-21-18;1-20(2,3)14-15-7-6-9-17(13-15)19(22)21-12-11-16-8-4-5-10-18(16)21;1-20(2,3)12-15-7-6-10-16(11-15)19(22)21-13-17-8-4-5-9-18(17)14-21;1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4;1-13(2,3)8-7-12(16)15-10-11-6-4-5-9-14-11;1-12(2,3)8-11(15)14-9-10-6-4-5-7-13-10;1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10;1-11(2,3)7-6-10(13)12-8-9-4-5-9/h5-10,12,14H,11,13,15H2,1-4H3;4-10,13H,11-12,14H2,1-3H3;4-11H,12-14H2,1-3H3;7-8H,5-6,9H2,1-4H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);4-7H,8-9H2,1-3H3,(H,14,15);6-7H,4-5,8H2,1-3H3,(H,13,14);9H,4-8H2,1-3H3,(H,12,13)
InChIKeyGDGLBCJVEBSVOF-UHFFFAOYSA-N
MW1968.84 g/mol
LogP24.70
Rot. Bonds28
About N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 158221186) has the molecular formula C120H170N14O8S and a molecular weight of 1968.84 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.
Molecular Properties
| Compound Name | N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide |
|---|---|
| PubChem CID | 158221186 |
| Molecular Formula | C120H170N14O8S |
| Molecular Weight | 1968.84 g/mol |
| Exact Mass | 1967.30 |
| IUPAC Name | N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide |
| SMILES | CC(C)(C)CC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCC1CC1.CC(C)(C)CCC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCc1nccs1.CC(C)(C)Cc1cccc(C(=O)N2CCc3ccccc32)c1.CC(C)(C)Cc1cccc(C(=O)N2Cc3ccccc3C2)c1.CN(CCc1ccccn1)C(=O)c1cccc(CC(C)(C)C)c1.Cc1cnc(CNC(=O)CCC(C)(C)C)cn1 |
| InChI | InChI=1S/C20H26N2O.2C20H23NO.C13H21N3O.C13H20N2O.C12H18N2O.C11H18N2OS.C11H21NO/c1-20(2,3)15-16-8-7-9-17(14-16)19(23)22(4)13-11-18-10-5-6-12-21-18;1-20(2,3)14-15-7-6-9-17(13-15)19(22)21-12-11-16-8-4-5-10-18(16)21;1-20(2,3)12-15-7-6-10-16(11-15)19(22)21-13-17-8-4-5-9-18(17)14-21;1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4;1-13(2,3)8-7-12(16)15-10-11-6-4-5-9-14-11;1-12(2,3)8-11(15)14-9-10-6-4-5-7-13-10;1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10;1-11(2,3)7-6-10(13)12-8-9-4-5-9/h5-10,12,14H,11,13,15H2,1-4H3;4-10,13H,11-12,14H2,1-3H3;4-11H,12-14H2,1-3H3;7-8H,5-6,9H2,1-4H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);4-7H,8-9H2,1-3H3,(H,14,15);6-7H,4-5,8H2,1-3H3,(H,13,14);9H,4-8H2,1-3H3,(H,12,13) |
| InChIKey | GDGLBCJVEBSVOF-UHFFFAOYSA-N |
| XLogP | 24.70 |
| TPSA | 283.77 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 143 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1968.84 |
| LogP ≤ 5 | 24.70 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 158221186) is N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is CC(C)(C)CC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCC1CC1.CC(C)(C)CCC(=O)NCc1ccccn1.CC(C)(C)CCC(=O)NCc1nccs1.CC(C)(C)Cc1cccc(C(=O)N2CCc3ccccc32)c1.CC(C)(C)Cc1cccc(C(=O)N2Cc3ccccc3C2)c1.CN(CCc1ccccn1)C(=O)c1cccc(CC(C)(C)C)c1.Cc1cnc(CNC(=O)CCC(C)(C)C)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is GDGLBCJVEBSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.2C20H23NO.C13H21N3O.C13H20N2O.C12H18N2O.C11H18N2OS.C11H21NO/c1-20(2,3)15-16-8-7-9-17(14-16)19(23)22(4)13-11-18-10-5-6-12-21-18;1-20(2,3)14-15-7-6-9-17(13-15)19(22)21-12-11-16-8-4-5-10-18(16)21;1-20(2,3)12-15-7-6-10-16(11-15)19(22)21-13-17-8-4-5-9-18(17)14-21;1-10-7-15-11(8-14-10)9-16-12(17)5-6-13(2,3)4;1-13(2,3)8-7-12(16)15-10-11-6-4-5-9-14-11;1-12(2,3)8-11(15)14-9-10-6-4-5-7-13-10;1-11(2,3)5-4-9(14)13-8-10-12-6-7-15-10;1-11(2,3)7-6-10(13)12-8-9-4-5-9/h5-10,12,14H,11,13,15H2,1-4H3;4-10,13H,11-12,14H2,1-3H3;4-11H,12-14H2,1-3H3;7-8H,5-6,9H2,1-4H3,(H,16,17);4-6,9H,7-8,10H2,1-3H3,(H,15,16);4-7H,8-9H2,1-3H3,(H,14,15);6-7H,4-5,8H2,1-3H3,(H,13,14);9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide?
N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 1968.84 g/mol, XLogP of 24.70, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 158221186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158221186 — identifiers, structure, computed properties (public domain)
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