N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide

C15H23N3O2 — CID 79153050

IUPACN-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-6-13(16)10-12(14)11-17-15(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,19)
InChIKeyLNPSLPATBRPHEP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.36
Rot. Bonds3

About N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide

N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide (PubChem CID 79153050) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
PubChem CID79153050
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)N1CCCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-6-13(16)10-12(14)11-17-15(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,19)
InChIKeyLNPSLPATBRPHEP-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]azepane-1-carboxamide
CID 79152962
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 104669190

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide (CID 79153050) is N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide is COc1ccc(N)cc1CNC(=O)N1CCCCCC1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide?
The InChIKey is LNPSLPATBRPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-7-6-13(16)10-12(14)11-17-15(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,19).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide?
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 79153050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).