N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide

C16H23N3O2 — CID 74244825

IUPACN-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)N1CCCCCCC1
InChIInChI=1S/C16H23N3O2/c1-12-11-13(15(17)20)7-8-14(12)18-16(21)19-9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyVTLQNYFCMCEHTA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds2

About N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide

N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide (PubChem CID 74244825) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
PubChem CID74244825
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)N1CCCCCCC1
InChIInChI=1S/C16H23N3O2/c1-12-11-13(15(17)20)7-8-14(12)18-16(21)19-9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H2,17,20)(H,18,21)
InChIKeyVTLQNYFCMCEHTA-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 119072401
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide (CID 74244825) is N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide is Cc1cc(C(N)=O)ccc1NC(=O)N1CCCCCCC1.
What is the InChIKey of N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide?
The InChIKey is VTLQNYFCMCEHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-11-13(15(17)20)7-8-14(12)18-16(21)19-9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide?
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide is sourced from PubChem (CID 74244825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).