2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide

C17H24N2O3 — CID 78802433

IUPAC2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C17H24N2O3/c1-22-15-9-5-4-8-14(15)17(21)18-11-7-13-19-12-6-2-3-10-16(19)20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyFRHGFVRNDGCZHP-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.22
Rot. Bonds6

About 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide

2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide (PubChem CID 78802433) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
PubChem CID78802433
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCN1CCCCCC1=O
InChIInChI=1S/C17H24N2O3/c1-22-15-9-5-4-8-14(15)17(21)18-11-7-13-19-12-6-2-3-10-16(19)20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyFRHGFVRNDGCZHP-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
2-[(2-bromophenyl)methoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 112763208
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111218143
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224433
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide (CID 78802433) is 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide is COc1ccccc1C(=O)NCCCN1CCCCCC1=O.
What is the InChIKey of 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide?
The InChIKey is FRHGFVRNDGCZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-9-5-4-8-14(15)17(21)18-11-7-13-19-12-6-2-3-10-16(19)20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21).
What are the key properties of 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide?
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide is sourced from PubChem (CID 78802433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).