N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide

C18H22N2O2 — CID 16784272

IUPACN-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
SMILESCc1c(N)cccc1NC(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14-16(19)9-5-10-17(14)20-18(21)11-6-12-22-13-15-7-3-2-4-8-15/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyZSQCWKWIZHNZQF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.51
Rot. Bonds7

About N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide

N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide (PubChem CID 16784272) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
PubChem CID16784272
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
SMILESCc1c(N)cccc1NC(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14-16(19)9-5-10-17(14)20-18(21)11-6-12-22-13-15-7-3-2-4-8-15/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyZSQCWKWIZHNZQF-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide (CID 16784272) is N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide is Cc1c(N)cccc1NC(=O)CCCOCc1ccccc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide?
The InChIKey is ZSQCWKWIZHNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-16(19)9-5-10-17(14)20-18(21)11-6-12-22-13-15-7-3-2-4-8-15/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21).
What are the key properties of N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide?
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide has a molecular weight of 298.39 g/mol, XLogP of 3.51, 7 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)-4-phenylmethoxybutanamide is sourced from PubChem (CID 16784272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).