N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide

C20H29N3O2 — CID 48645800

IUPACN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-14-16(19(24)21-17-8-4-5-9-17)10-11-18(15)22-20(25)23-12-6-2-3-7-13-23/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeySYSWGDXOJTVWLH-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.08
Rot. Bonds3

About N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide (PubChem CID 48645800) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
PubChem CID48645800
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C20H29N3O2/c1-15-14-16(19(24)21-17-8-4-5-9-17)10-11-18(15)22-20(25)23-12-6-2-3-7-13-23/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeySYSWGDXOJTVWLH-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796327
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide (CID 48645800) is N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide is Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCCCC1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide?
The InChIKey is SYSWGDXOJTVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-14-16(19(24)21-17-8-4-5-9-17)10-11-18(15)22-20(25)23-12-6-2-3-7-13-23/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide?
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide is sourced from PubChem (CID 48645800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).