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

C27H28Cl2N2O3 — CID 132619218

IUPAC2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H28Cl2N2O3/c1-3-30-27(33)25(15-19-7-5-4-6-8-19)31(18-21-11-12-22(28)17-24(21)29)26(32)16-20-9-13-23(34-2)14-10-20/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,30,33)
InChIKeyGMZJCUTYZZZMBZ-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.32
Rot. Bonds10

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

2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 132619218) has the molecular formula C27H28Cl2N2O3 and a molecular weight of 499.44 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID132619218
Molecular FormulaC27H28Cl2N2O3
Molecular Weight499.44 g/mol
Exact Mass498.15
IUPAC Name2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C27H28Cl2N2O3/c1-3-30-27(33)25(15-19-7-5-4-6-8-19)31(18-21-11-12-22(28)17-24(21)29)26(32)16-20-9-13-23(34-2)14-10-20/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,30,33)
InChIKeyGMZJCUTYZZZMBZ-UHFFFAOYSA-N
XLogP5.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133253732
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
2-[[2-(4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132622059
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132623433
2-[(2,4-dichlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132628453
2-[[2-(4-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132618006
2-[(2,4-dichlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132623825
2-[(2,4-dichlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-ethyl-3-phenylpropanamide
CID 132619564
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132721138
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
2-[(2,4-dichlorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621293

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide (CID 132619218) is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is GMZJCUTYZZZMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O3/c1-3-30-27(33)25(15-19-7-5-4-6-8-19)31(18-21-11-12-22(28)17-24(21)29)26(32)16-20-9-13-23(34-2)14-10-20/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,30,33).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 499.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 132619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).