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

C24H32N2O4 — CID 46448379

IUPAC3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-6-29-22-13-12-20(14-23(22)30-7-2)17(4)25-24(28)15-21(26-18(5)27)19-10-8-16(3)9-11-19/h8-14,17,21H,6-7,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyIAGOBGFUBIDUDX-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.24
Rot. Bonds10

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

3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 46448379) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID46448379
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-6-29-22-13-12-20(14-23(22)30-7-2)17(4)25-24(28)15-21(26-18(5)27)19-10-8-16(3)9-11-19/h8-14,17,21H,6-7,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyIAGOBGFUBIDUDX-UHFFFAOYSA-N
XLogP4.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
CID 46649966
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 134053791
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
CID 138015146
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (CID 46448379) is 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is CCOc1ccc(C(C)NC(=O)CC(NC(C)=O)c2ccc(C)cc2)cc1OCC.
What is the InChIKey of 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is IAGOBGFUBIDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-29-22-13-12-20(14-23(22)30-7-2)17(4)25-24(28)15-21(26-18(5)27)19-10-8-16(3)9-11-19/h8-14,17,21H,6-7,15H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 412.53 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46448379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).