3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide

C20H25N3O2 — CID 86931913

IUPAC3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(24)21-19(17-9-5-4-6-10-17)13-20(25)22-18-11-7-8-16(12-18)14-23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDXCHUSMOFXHMPI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds7

About 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide

3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide (PubChem CID 86931913) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
PubChem CID86931913
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(24)21-19(17-9-5-4-6-10-17)13-20(25)22-18-11-7-8-16(12-18)14-23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDXCHUSMOFXHMPI-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide 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

(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 55888374
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide (CID 86931913) is 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide?
The InChIKey is DXCHUSMOFXHMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(24)21-19(17-9-5-4-6-10-17)13-20(25)22-18-11-7-8-16(12-18)14-23(2)3/h4-12,19H,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide?
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 86931913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).