3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide

C21H25N3O2 — CID 54795813

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESNc1ccc(CC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O2/c22-17-11-9-15(10-12-17)13-20(25)23-19-8-4-5-16(14-19)21(26)24-18-6-2-1-3-7-18/h4-5,8-12,14,18H,1-3,6-7,13,22H2,(H,23,25)(H,24,26)
InChIKeyJEAWDSFTBFAKSH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.51
Rot. Bonds5

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

3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 54795813) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID54795813
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESNc1ccc(CC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O2/c22-17-11-9-15(10-12-17)13-20(25)23-19-8-4-5-16(14-19)21(26)24-18-6-2-1-3-7-18/h4-5,8-12,14,18H,1-3,6-7,13,22H2,(H,23,25)(H,24,26)
InChIKeyJEAWDSFTBFAKSH-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.51
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

N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
3-[[2-(4-aminophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54795721
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide (CID 54795813) is 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide is Nc1ccc(CC(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is JEAWDSFTBFAKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-17-11-9-15(10-12-17)13-20(25)23-19-8-4-5-16(14-19)21(26)24-18-6-2-1-3-7-18/h4-5,8-12,14,18H,1-3,6-7,13,22H2,(H,23,25)(H,24,26).
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide?
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.51, 5 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]-N-cyclohexylbenzamide is sourced from PubChem (CID 54795813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).