3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide

C22H28N2O4 — CID 134053791

IUPAC3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-14-6-8-17(9-7-14)20(24-16(3)25)13-22(26)23-15(2)19-11-10-18(27-4)12-21(19)28-5/h6-12,15,20H,13H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGHSBSICRVIQPJA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds8

About 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 134053791) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID134053791
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-14-6-8-17(9-7-14)20(24-16(3)25)13-22(26)23-15(2)19-11-10-18(27-4)12-21(19)28-5/h6-12,15,20H,13H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyGHSBSICRVIQPJA-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
(3R)-3-acetamido-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 8963040
3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (CID 134053791) is 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is COc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is GHSBSICRVIQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-6-8-17(9-7-14)20(24-16(3)25)13-22(26)23-15(2)19-11-10-18(27-4)12-21(19)28-5/h6-12,15,20H,13H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 134053791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).