7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide

C16H26N2O2 — CID 60924992

IUPAC7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
SMILESCOCc1ccccc1CNC(=O)CCCCCCN
InChIInChI=1S/C16H26N2O2/c1-20-13-15-9-6-5-8-14(15)12-18-16(19)10-4-2-3-7-11-17/h5-6,8-9H,2-4,7,10-13,17H2,1H3,(H,18,19)
InChIKeyAIFHHWQMJFOUBI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds10

About 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide

7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide (PubChem CID 60924992) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
PubChem CID60924992
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
SMILESCOCc1ccccc1CNC(=O)CCCCCCN
InChIInChI=1S/C16H26N2O2/c1-20-13-15-9-6-5-8-14(15)12-18-16(19)10-4-2-3-7-11-17/h5-6,8-9H,2-4,7,10-13,17H2,1H3,(H,18,19)
InChIKeyAIFHHWQMJFOUBI-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
CID 119320083
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide?
The IUPAC name of 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide (CID 60924992) is 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide?
The canonical SMILES for 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide is COCc1ccccc1CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide?
The InChIKey is AIFHHWQMJFOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-20-13-15-9-6-5-8-14(15)12-18-16(19)10-4-2-3-7-11-17/h5-6,8-9H,2-4,7,10-13,17H2,1H3,(H,18,19).
What are the key properties of 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide?
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide has a molecular weight of 278.40 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide is sourced from PubChem (CID 60924992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).