2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

C29H34N2O5 — CID 133236390

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H34N2O5/c1-5-30-29(33)25(17-21-9-7-6-8-10-21)31(20-22-11-14-24(34-2)15-12-22)28(32)19-23-13-16-26(35-3)27(18-23)36-4/h6-16,18,25H,5,17,19-20H2,1-4H3,(H,30,33)
InChIKeyQMGIMBZCTMTPRH-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.03
Rot. Bonds12

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 133236390) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID133236390
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H34N2O5/c1-5-30-29(33)25(17-21-9-7-6-8-10-21)31(20-22-11-14-24(34-2)15-12-22)28(32)19-23-13-16-26(35-3)27(18-23)36-4/h6-16,18,25H,5,17,19-20H2,1-4H3,(H,30,33)
InChIKeyQMGIMBZCTMTPRH-UHFFFAOYSA-N
XLogP4.03
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133213931
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 133213388
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133214958
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 133214940
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619218
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
(2S)-N-butyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 100712142
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233451
N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616203
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (CID 133236390) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is QMGIMBZCTMTPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-5-30-29(33)25(17-21-9-7-6-8-10-21)31(20-22-11-14-24(34-2)15-12-22)28(32)19-23-13-16-26(35-3)27(18-23)36-4/h6-16,18,25H,5,17,19-20H2,1-4H3,(H,30,33).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 490.60 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 133236390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).