4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide

C20H26N2O2 — CID 119735749

IUPAC4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-21-14-5-8-20(23)22-15-13-17-9-11-19(12-10-17)24-16-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-16H2,1H3,(H,22,23)
InChIKeyLIKJLUOFSIJKMZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.92
Rot. Bonds10

About 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide

4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide (PubChem CID 119735749) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
PubChem CID119735749
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-21-14-5-8-20(23)22-15-13-17-9-11-19(12-10-17)24-16-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-16H2,1H3,(H,22,23)
InChIKeyLIKJLUOFSIJKMZ-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide 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

N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide (CID 119735749) is 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide is CNCCCC(=O)NCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide?
The InChIKey is LIKJLUOFSIJKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21-14-5-8-20(23)22-15-13-17-9-11-19(12-10-17)24-16-18-6-3-2-4-7-18/h2-4,6-7,9-12,21H,5,8,13-16H2,1H3,(H,22,23).
What are the key properties of 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide?
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119735749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).