N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide

C15H22N2O2 — CID 115581934

IUPACN-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-13-7-6-8-14(11-13)16-15(18)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,16,18)
InChIKeyCSRKBORLGQIQQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds3

About N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide

N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide (PubChem CID 115581934) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
PubChem CID115581934
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-13-7-6-8-14(11-13)16-15(18)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,16,18)
InChIKeyCSRKBORLGQIQQN-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 34684605
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CID 79151936
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
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CID 95311462
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
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N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
N-[3-[[[amino-(3-methoxyanilino)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
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N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-[[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 110942874
2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 87010464

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide (CID 115581934) is N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide is COCc1cccc(NC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide?
The InChIKey is CSRKBORLGQIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-12-13-7-6-8-14(11-13)16-15(18)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,16,18).
What are the key properties of N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide?
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide is sourced from PubChem (CID 115581934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).