5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide

C22H27N3O2 — CID 120624848

IUPAC5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-15-8-11-17(23)14-20(15)21(26)24-18-12-9-16(10-13-18)22(27)25(2)19-6-4-3-5-7-19/h8-14,19H,3-7,23H2,1-2H3,(H,24,26)
InChIKeyGVOAEMNYTSRLPL-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.23
Rot. Bonds4

About 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide

5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 120624848) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
PubChem CID120624848
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-15-8-11-17(23)14-20(15)21(26)24-18-12-9-16(10-13-18)22(27)25(2)19-6-4-3-5-7-19/h8-14,19H,3-7,23H2,1-2H3,(H,24,26)
InChIKeyGVOAEMNYTSRLPL-UHFFFAOYSA-N
XLogP4.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
3-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]pyrazine-2-carboxamide
CID 119132594
5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
CID 120637133
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide (CID 120624848) is 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is GVOAEMNYTSRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-8-11-17(23)14-20(15)21(26)24-18-12-9-16(10-13-18)22(27)25(2)19-6-4-3-5-7-19/h8-14,19H,3-7,23H2,1-2H3,(H,24,26).
What are the key properties of 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide?
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 120624848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).