4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide

C20H23N3O — CID 110668205

IUPAC4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2n1C
InChIInChI=1S/C20H23N3O/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyCQQDGAKFBIEEOU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.48
Rot. Bonds4

About 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide

4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide (PubChem CID 110668205) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
PubChem CID110668205
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2n1C
InChIInChI=1S/C20H23N3O/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)22(2)3/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyCQQDGAKFBIEEOU-UHFFFAOYSA-N
XLogP3.48
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide (CID 110668205) is 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3ccc(N(C)C)cc3)ccc2n1C.
What is the InChIKey of 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
The InChIKey is CQQDGAKFBIEEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-11-17-12-15(5-10-19(17)23(14)4)13-21-20(24)16-6-8-18(9-7-16)22(2)3/h5-12H,13H2,1-4H3,(H,21,24).
What are the key properties of 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide?
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide is sourced from PubChem (CID 110668205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).