1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 43704094

IUPAC1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCCNC2=O)CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(7-3-1-4-8-13)12(18)16-10-6-2-5-9-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyPSDVZRCLIVPJIA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.43
Rot. Bonds2

About 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide

1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide (PubChem CID 43704094) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
PubChem CID43704094
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCCNC2=O)CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(7-3-1-4-8-13)12(18)16-10-6-2-5-9-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyPSDVZRCLIVPJIA-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65466237
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
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4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
CID 115439051
1-carbamothioyl-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 55037601
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 94660208
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
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1-[2-oxo-2-[(2-oxopiperidin-3-yl)amino]ethyl]cycloheptane-1-carboxylic acid
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1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide (CID 43704094) is 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide is NC1(C(=O)NC2CCCCNC2=O)CCCCC1.
What is the InChIKey of 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is PSDVZRCLIVPJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(7-3-1-4-8-13)12(18)16-10-6-2-5-9-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18).
What are the key properties of 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide?
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43704094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).