2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide

C15H20N2O3 — CID 53384965

IUPAC2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCCCN(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-17-10-6-5-8-12(15(17)19)16-14(18)11-7-3-4-9-13(11)20-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,16,18)
InChIKeyXRLFMUZTACYSSM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds3

About 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide

2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide (PubChem CID 53384965) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
PubChem CID53384965
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCCCN(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-17-10-6-5-8-12(15(17)19)16-14(18)11-7-3-4-9-13(11)20-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,16,18)
InChIKeyXRLFMUZTACYSSM-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
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2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
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N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
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N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
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benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 122568943
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
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2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
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N-(1-methyl-2-oxoazepan-3-yl)-3-nitrobenzamide
CID 53384979

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide (CID 53384965) is 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide is COc1ccccc1C(=O)NC1CCCCN(C)C1=O.
What is the InChIKey of 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide?
The InChIKey is XRLFMUZTACYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-10-6-5-8-12(15(17)19)16-14(18)11-7-3-4-9-13(11)20-2/h3-4,7,9,12H,5-6,8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide?
2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 53384965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).