3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide

C21H25N3O2 — CID 119712024

IUPAC3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C21H25N3O2/c1-14-10-11-16(20(25)23-18-8-3-2-4-9-18)13-19(14)24-21(26)15-6-5-7-17(22)12-15/h2-4,8-11,13,15,17H,5-7,12,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyOUWFCMKIOKSPSJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.70
Rot. Bonds4

About 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide

3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide (PubChem CID 119712024) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
PubChem CID119712024
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C21H25N3O2/c1-14-10-11-16(20(25)23-18-8-3-2-4-9-18)13-19(14)24-21(26)15-6-5-7-17(22)12-15/h2-4,8-11,13,15,17H,5-7,12,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyOUWFCMKIOKSPSJ-UHFFFAOYSA-N
XLogP3.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119725765
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
CID 119711154
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide (CID 119712024) is 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide?
The InChIKey is OUWFCMKIOKSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-10-11-16(20(25)23-18-8-3-2-4-9-18)13-19(14)24-21(26)15-6-5-7-17(22)12-15/h2-4,8-11,13,15,17H,5-7,12,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide?
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 119712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).