N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide

C20H24N2O3 — CID 51089316

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCOCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(2)14-18-9-6-10-19(13-18)21-20(24)11-12-25-15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyDVBNXTZLAICJBA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.21
Rot. Bonds8

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide (PubChem CID 51089316) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
PubChem CID51089316
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CCOCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16(23)22(2)14-18-9-6-10-19(13-18)21-20(24)11-12-25-15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyDVBNXTZLAICJBA-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide 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

5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
3-(3-phenylmethoxypropanoylamino)benzoic acid
CID 150361696
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(4-cyanophenyl)propanamide
CID 33228520
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
N-[[3-[[(1S)-2-hydroxy-1-phenylethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 56826961
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide (CID 51089316) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide is CC(=O)N(C)Cc1cccc(NC(=O)CCOCc2ccccc2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide?
The InChIKey is DVBNXTZLAICJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(23)22(2)14-18-9-6-10-19(13-18)21-20(24)11-12-25-15-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 51089316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).