(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide

C14H20N2O2 — CID 124509646

IUPAC(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-5-6-11(10-12)16-14(17)13-8-3-2-4-9-15-13/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyUKHXIDNZFPRNPV-CYBMUJFWSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds3

About (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide

(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide (PubChem CID 124509646) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
PubChem CID124509646
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-7-5-6-11(10-12)16-14(17)13-8-3-2-4-9-15-13/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyUKHXIDNZFPRNPV-CYBMUJFWSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
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N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
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N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
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(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide (CID 124509646) is (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide is COc1cccc(NC(=O)[C@H]2CCCCCN2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide?
The InChIKey is UKHXIDNZFPRNPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-7-5-6-11(10-12)16-14(17)13-8-3-2-4-9-15-13/h5-7,10,13,15H,2-4,8-9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide?
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)azepane-2-carboxamide is sourced from PubChem (CID 124509646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).