N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide

C13H25N3O2 — CID 115583768

IUPACN-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-11(2)15-12(17)7-8-14-13(18)16-9-5-3-4-6-10-16/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyJSOUFJQQPGZRAS-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds4

About N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide

N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide (PubChem CID 115583768) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
PubChem CID115583768
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-11(2)15-12(17)7-8-14-13(18)16-9-5-3-4-6-10-16/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyJSOUFJQQPGZRAS-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115583806
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N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
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N-[3-(cyclopropylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116656665
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 87036409
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
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N-(2-fluoroethyl)piperidine-1-carboxamide
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2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide (CID 115583768) is N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide is CC(C)NC(=O)CCNC(=O)N1CCCCCC1.
What is the InChIKey of N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide?
The InChIKey is JSOUFJQQPGZRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)15-12(17)7-8-14-13(18)16-9-5-3-4-6-10-16/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide?
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide is sourced from PubChem (CID 115583768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).