N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide

C13H20N2O2 — CID 103109930

IUPACN-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCc1cccc(N)c1C
InChIInChI=1S/C13H20N2O2/c1-10-11(5-3-6-12(10)14)9-15-13(16)7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyLDYSPJSXDCEZBU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds6

About N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide

N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide (PubChem CID 103109930) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide
PubChem CID103109930
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCc1cccc(N)c1C
InChIInChI=1S/C13H20N2O2/c1-10-11(5-3-6-12(10)14)9-15-13(16)7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyLDYSPJSXDCEZBU-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
1-[(3-amino-2-methylphenyl)methyl]-3-propan-2-ylurea
CID 103110640
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide (CID 103109930) is N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide is COCCCC(=O)NCc1cccc(N)c1C.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide?
The InChIKey is LDYSPJSXDCEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-11(5-3-6-12(10)14)9-15-13(16)7-4-8-17-2/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide?
N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-4-methoxybutanamide is sourced from PubChem (CID 103109930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).