(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide

C16H22N2O3 — CID 124626441

IUPAC(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CCCCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-13-8-6-12(7-9-13)10-11-17-16(20)14-4-2-3-5-15(19)18-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyFGRUAVBXPOLJLB-CQSZACIVSA-N
MW290.36 g/mol
LogP1.41
Rot. Bonds5

About (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide

(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide (PubChem CID 124626441) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
PubChem CID124626441
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CCCCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-13-8-6-12(7-9-13)10-11-17-16(20)14-4-2-3-5-15(19)18-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyFGRUAVBXPOLJLB-CQSZACIVSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747
N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide (CID 124626441) is (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide is COc1ccc(CCNC(=O)[C@H]2CCCCC(=O)N2)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide?
The InChIKey is FGRUAVBXPOLJLB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-13-8-6-12(7-9-13)10-11-17-16(20)14-4-2-3-5-15(19)18-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide?
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 124626441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).