4-methoxy-N-(2-oxoazepan-4-yl)benzamide

C14H18N2O3 — CID 19090438

IUPAC4-methoxy-N-(2-oxoazepan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCNC(=O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-19-12-6-4-10(5-7-12)14(18)16-11-3-2-8-15-13(17)9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyRQZAOZFUPDCSMU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds3

About 4-methoxy-N-(2-oxoazepan-4-yl)benzamide

4-methoxy-N-(2-oxoazepan-4-yl)benzamide (PubChem CID 19090438) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxoazepan-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-oxoazepan-4-yl)benzamide
PubChem CID19090438
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-methoxy-N-(2-oxoazepan-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCCNC(=O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-19-12-6-4-10(5-7-12)14(18)16-11-3-2-8-15-13(17)9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyRQZAOZFUPDCSMU-UHFFFAOYSA-N
XLogP1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-N-(2-oxoazepan-4-yl)penta-2,4-dienamide
CID 54490680
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
N-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxoazepan-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-oxoazepan-4-yl)benzamide (CID 19090438) is 4-methoxy-N-(2-oxoazepan-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-oxoazepan-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-oxoazepan-4-yl)benzamide is COc1ccc(C(=O)NC2CCCNC(=O)C2)cc1.
What is the InChIKey of 4-methoxy-N-(2-oxoazepan-4-yl)benzamide?
The InChIKey is RQZAOZFUPDCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-6-4-10(5-7-12)14(18)16-11-3-2-8-15-13(17)9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-methoxy-N-(2-oxoazepan-4-yl)benzamide?
4-methoxy-N-(2-oxoazepan-4-yl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxoazepan-4-yl)benzamide is sourced from PubChem (CID 19090438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).