N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide

C15H23N3O2 — CID 107467309

IUPACN-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
SMILESCOc1cccc(CN)c1NC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-11,16H2,1H3,(H,17,19)
InChIKeyFAKCOTQKZSRBFP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide

N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide (PubChem CID 107467309) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
PubChem CID107467309
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
SMILESCOc1cccc(CN)c1NC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-11,16H2,1H3,(H,17,19)
InChIKeyFAKCOTQKZSRBFP-UHFFFAOYSA-N
XLogP2.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
N-[4-[[4-(aziridine-1-carbonylamino)-3,5-dimethoxyphenyl]methyl]-2,6-dimethoxyphenyl]aziridine-1-carboxamide
CID 19762223
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
CID 167764760

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide (CID 107467309) is N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide is COc1cccc(CN)c1NC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide?
The InChIKey is FAKCOTQKZSRBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-8-6-7-12(11-16)14(13)17-15(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-11,16H2,1H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide?
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide is sourced from PubChem (CID 107467309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).