N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide

C21H28N2O2 — CID 110408193

IUPACN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1cccc(C(Cc2ccccc2)C(=O)NCCCN(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-23(2)14-8-13-22-21(24)20(15-17-9-5-4-6-10-17)18-11-7-12-19(16-18)25-3/h4-7,9-12,16,20H,8,13-15H2,1-3H3,(H,22,24)
InChIKeyBHZFTEYZMSVKBA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.09
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide

N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide (PubChem CID 110408193) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
PubChem CID110408193
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1cccc(C(Cc2ccccc2)C(=O)NCCCN(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-23(2)14-8-13-22-21(24)20(15-17-9-5-4-6-10-17)18-11-7-12-19(16-18)25-3/h4-7,9-12,16,20H,8,13-15H2,1-3H3,(H,22,24)
InChIKeyBHZFTEYZMSVKBA-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-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

methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 54894700
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
CID 71105768

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide (CID 110408193) is N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide is COc1cccc(C(Cc2ccccc2)C(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is BHZFTEYZMSVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-23(2)14-8-13-22-21(24)20(15-17-9-5-4-6-10-17)18-11-7-12-19(16-18)25-3/h4-7,9-12,16,20H,8,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide?
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 110408193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).