N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide

C25H27NO3 — CID 85019951

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO3/c1-18(22-16-21(28-2)14-15-24(22)29-3)26-25(27)17-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,18,23H,17H2,1-3H3,(H,26,27)
InChIKeyAGLBGZDEKOTNKM-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.10
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide (PubChem CID 85019951) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
PubChem CID85019951
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO3/c1-18(22-16-21(28-2)14-15-24(22)29-3)26-25(27)17-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,18,23H,17H2,1-3H3,(H,26,27)
InChIKeyAGLBGZDEKOTNKM-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methyl-1-phenylbutyl)urea;hydrochloride
CID 55589906
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide (CID 85019951) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide is COc1ccc(OC)c(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide?
The InChIKey is AGLBGZDEKOTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-18(22-16-21(28-2)14-15-24(22)29-3)26-25(27)17-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,18,23H,17H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide has a molecular weight of 389.50 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 85019951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).