3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide

C17H25N3O2 — CID 119818622

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
SMILESNC(=O)CC(NC(=O)Cc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-14-8-6-12(7-9-14)10-17(22)20-15(11-16(19)21)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,18H2,(H2,19,21)(H,20,22)
InChIKeyGFVHFHQHAIVWDV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.75
Rot. Bonds6

About 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide

3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide (PubChem CID 119818622) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
PubChem CID119818622
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
SMILESNC(=O)CC(NC(=O)Cc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c18-14-8-6-12(7-9-14)10-17(22)20-15(11-16(19)21)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,18H2,(H2,19,21)(H,20,22)
InChIKeyGFVHFHQHAIVWDV-UHFFFAOYSA-N
XLogP1.75
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
CID 119818633
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
3-cyclohexyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 119818654
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
CID 96524082
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide (CID 119818622) is 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide is NC(=O)CC(NC(=O)Cc1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide?
The InChIKey is GFVHFHQHAIVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-14-8-6-12(7-9-14)10-17(22)20-15(11-16(19)21)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,18H2,(H2,19,21)(H,20,22).
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide?
3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide is sourced from PubChem (CID 119818622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).