N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide

C15H22N2O2 — CID 64563598

IUPACN-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-7-4-5-8-13(12)17-15(18)14-9-3-2-6-10-16-14/h4-5,7-8,14,16H,2-3,6,9-11H2,1H3,(H,17,18)
InChIKeyWPIZPQOZFXJOTC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide

N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide (PubChem CID 64563598) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
PubChem CID64563598
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H22N2O2/c1-19-11-12-7-4-5-8-13(12)17-15(18)14-9-3-2-6-10-16-14/h4-5,7-8,14,16H,2-3,6,9-11H2,1H3,(H,17,18)
InChIKeyWPIZPQOZFXJOTC-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-[3-bromo-2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64564041
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide (CID 64563598) is N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide is COCc1ccccc1NC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide?
The InChIKey is WPIZPQOZFXJOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-11-12-7-4-5-8-13(12)17-15(18)14-9-3-2-6-10-16-14/h4-5,7-8,14,16H,2-3,6,9-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide?
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide is sourced from PubChem (CID 64563598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).