2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide

C25H33ClN2O2 — CID 132668608

IUPAC2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C25H33ClN2O2/c1-5-16-27-25(30)19(4)28(17-22-8-6-7-9-23(22)26)24(29)15-12-20-10-13-21(14-11-20)18(2)3/h6-11,13-14,18-19H,5,12,15-17H2,1-4H3,(H,27,30)
InChIKeyMTZWSIWZNYTSKK-UHFFFAOYSA-N
MW429.00 g/mol
LogP5.34
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide

2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide (PubChem CID 132668608) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
PubChem CID132668608
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC Name2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C25H33ClN2O2/c1-5-16-27-25(30)19(4)28(17-22-8-6-7-9-23(22)26)24(29)15-12-20-10-13-21(14-11-20)18(2)3/h6-11,13-14,18-19H,5,12,15-17H2,1-4H3,(H,27,30)
InChIKeyMTZWSIWZNYTSKK-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100569635
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100556959
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132675484
2-[(4-methoxyphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132667509
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132674733
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100568172
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535585
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132659401
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide (CID 132668608) is 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide?
The InChIKey is MTZWSIWZNYTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-5-16-27-25(30)19(4)28(17-22-8-6-7-9-23(22)26)24(29)15-12-20-10-13-21(14-11-20)18(2)3/h6-11,13-14,18-19H,5,12,15-17H2,1-4H3,(H,27,30).
What are the key properties of 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide?
2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide has a molecular weight of 429.00 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132668608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).