N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

C21H25NO4 — CID 20969090

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
SMILESCOc1ccc(CCNC(=O)CCCC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H25NO4/c1-25-19-12-11-16(15-20(19)26-2)13-14-22-21(24)10-6-9-18(23)17-7-4-3-5-8-17/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyGZBFMEYERILXKE-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.42
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide (PubChem CID 20969090) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
PubChem CID20969090
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
SMILESCOc1ccc(CCNC(=O)CCCC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H25NO4/c1-25-19-12-11-16(15-20(19)26-2)13-14-22-21(24)10-6-9-18(23)17-7-4-3-5-8-17/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyGZBFMEYERILXKE-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide 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-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18206703
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703855
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55684452
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide (CID 20969090) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide is COc1ccc(CCNC(=O)CCCC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
The InChIKey is GZBFMEYERILXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-25-19-12-11-16(15-20(19)26-2)13-14-22-21(24)10-6-9-18(23)17-7-4-3-5-8-17/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide has a molecular weight of 355.43 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 20969090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).