1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide

C19H25N3O3 — CID 108972266

IUPAC1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-8-5-9-16(12-15)22-18(25)19(10-11-19)17(24)21-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyNTRCFGJLECFXGK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds5

About 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide

1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (PubChem CID 108972266) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
PubChem CID108972266
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-8-5-9-16(12-15)22-18(25)19(10-11-19)17(24)21-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyNTRCFGJLECFXGK-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (CID 108972266) is 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is CC(=O)Nc1cccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)c1.
What is the InChIKey of 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The InChIKey is NTRCFGJLECFXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)20-15-8-5-9-16(12-15)22-18(25)19(10-11-19)17(24)21-14-6-3-2-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).