N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide

C13H24N2O2 — CID 64563784

IUPACN-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)C1CCCO1
InChIInChI=1S/C13H24N2O2/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyBPCZXSWDYDHSCH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide

N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide (PubChem CID 64563784) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
PubChem CID64563784
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCN1)C1CCCO1
InChIInChI=1S/C13H24N2O2/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyBPCZXSWDYDHSCH-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905786
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 71895287
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide (CID 64563784) is N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide is CC(NC(=O)C1CCCCCN1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide?
The InChIKey is BPCZXSWDYDHSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(12-7-5-9-17-12)15-13(16)11-6-3-2-4-8-14-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide?
N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64563784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).