2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide

C21H26N2O2 — CID 71049986

IUPAC2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2NC2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-8-13-20(22-16-6-4-3-5-7-16)19(14-15)21(24)23-17-9-11-18(25-2)12-10-17/h8-14,16,22H,3-7H2,1-2H3,(H,23,24)
InChIKeyJOCHIYGNGKBFGE-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.00
Rot. Bonds5

About 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide

2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide (PubChem CID 71049986) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
PubChem CID71049986
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2NC2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-8-13-20(22-16-6-4-3-5-7-16)19(14-15)21(24)23-17-9-11-18(25-2)12-10-17/h8-14,16,22H,3-7H2,1-2H3,(H,23,24)
InChIKeyJOCHIYGNGKBFGE-UHFFFAOYSA-N
XLogP5.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-(4-cyclopentyloxyphenyl)-2,5-dimethylbenzamide
CID 38454818
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide?
The IUPAC name of 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide (CID 71049986) is 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide is COc1ccc(NC(=O)c2cc(C)ccc2NC2CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide?
The InChIKey is JOCHIYGNGKBFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-13-20(22-16-6-4-3-5-7-16)19(14-15)21(24)23-17-9-11-18(25-2)12-10-17/h8-14,16,22H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide?
2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 71049986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).