2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide

C17H24N2O3 — CID 108985455

IUPAC2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1cccc(CCNC(=O)C(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-15-8-6-7-14(13-15)9-10-18-16(20)17(21)19-11-4-2-3-5-12-19/h6-8,13H,2-5,9-12H2,1H3,(H,18,20)
InChIKeyBMMACTSLYNWVPD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.76
Rot. Bonds4

About 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide

2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 108985455) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
PubChem CID108985455
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1cccc(CCNC(=O)C(=O)N2CCCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-15-8-6-7-14(13-15)9-10-18-16(20)17(21)19-11-4-2-3-5-12-19/h6-8,13H,2-5,9-12H2,1H3,(H,18,20)
InChIKeyBMMACTSLYNWVPD-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985441
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide (CID 108985455) is 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide is COc1cccc(CCNC(=O)C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is BMMACTSLYNWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-8-6-7-14(13-15)9-10-18-16(20)17(21)19-11-4-2-3-5-12-19/h6-8,13H,2-5,9-12H2,1H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide?
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108985455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).