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

C22H28N2O4 — CID 51195261

IUPAC3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(CCNC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-5-8-18(9-6-15)19(24-16(2)25)14-22(26)23-12-11-17-7-10-20(27-3)21(13-17)28-4/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyCVWJXCGLFZKSNW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.94
Rot. Bonds9

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

3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 51195261) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID51195261
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(CCNC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-5-8-18(9-6-15)19(24-16(2)25)14-22(26)23-12-11-17-7-10-20(27-3)21(13-17)28-4/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyCVWJXCGLFZKSNW-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 92698426
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867180
(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
CID 41244831
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 51143667
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (CID 51195261) is 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is COc1ccc(CCNC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is CVWJXCGLFZKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-5-8-18(9-6-15)19(24-16(2)25)14-22(26)23-12-11-17-7-10-20(27-3)21(13-17)28-4/h5-10,13,19H,11-12,14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51195261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).