N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide

C13H24N2O2 — CID 107172424

IUPACN-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCO1)C1CCCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(7-4-10-17-13)12(16)15(2)11-5-3-8-14-9-6-11/h11,14H,3-10H2,1-2H3
InChIKeySBWNKVDEPAJXBW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds2

About N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide

N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide (PubChem CID 107172424) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
PubChem CID107172424
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCO1)C1CCCNCC1
InChIInChI=1S/C13H24N2O2/c1-13(7-4-10-17-13)12(16)15(2)11-5-3-8-14-9-6-11/h11,14H,3-10H2,1-2H3
InChIKeySBWNKVDEPAJXBW-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclobutyl-N,3-dimethylpiperidine-3-carboxamide
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1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
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1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
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N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
(2S)-2-amino-N-(azepan-4-yl)-N-methylpropanamide;hydrochloride
CID 130626855
N-(azepan-4-yl)-N,2,3-trimethylbutanamide
CID 104974580
N-cyclobutyl-N,3-dimethylazetidine-3-carboxamide
CID 130915040
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106612762
N-cycloheptyl-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130331

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide (CID 107172424) is N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide is CN(C(=O)C1(C)CCCO1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide?
The InChIKey is SBWNKVDEPAJXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(7-4-10-17-13)12(16)15(2)11-5-3-8-14-9-6-11/h11,14H,3-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide?
N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 107172424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).