N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide

C15H28N2O — CID 113258029

IUPACN-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
SMILESCCC1(CNC(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13-16-14(18)17-11-7-3-4-8-12-17/h2-13H2,1H3,(H,16,18)
InChIKeyCRPQEGXWUWDFMS-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.54
Rot. Bonds3

About N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide

N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide (PubChem CID 113258029) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
PubChem CID113258029
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
SMILESCCC1(CNC(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13-16-14(18)17-11-7-3-4-8-12-17/h2-13H2,1H3,(H,16,18)
InChIKeyCRPQEGXWUWDFMS-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-methylcyclobutyl)methyl]piperidine-1-carboxamide
CID 103736206
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
2-[(1-ethylcyclopentyl)methylamino]-2-oxoacetic acid
CID 104768310
(3S,4S)-1-[(1-ethylcyclopentyl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122006668
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
1-N-[(1-ethylcyclobutyl)methyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 75377699
1-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006604
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide (CID 113258029) is N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide is CCC1(CNC(=O)N2CCCCCC2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide?
The InChIKey is CRPQEGXWUWDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-15(9-5-6-10-15)13-16-14(18)17-11-7-3-4-8-12-17/h2-13H2,1H3,(H,16,18).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide?
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 113258029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).