N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide

C18H21NO3 — CID 40553494

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-13(16-12-15(21-2)9-10-17(16)22-3)19-18(20)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyRYPBEDMZCKEKLN-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds6

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 40553494) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID40553494
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-13(16-12-15(21-2)9-10-17(16)22-3)19-18(20)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyRYPBEDMZCKEKLN-ZDUSSCGKSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide 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-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 46605778
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide (CID 40553494) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide is COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is RYPBEDMZCKEKLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(16-12-15(21-2)9-10-17(16)22-3)19-18(20)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 40553494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).