(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide

C22H26Cl2N2O2 — CID 100536342

IUPAC(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2O2/c1-3-12-25-22(28)16(2)26(13-11-17-7-5-4-6-8-17)21(27)14-18-9-10-19(23)15-20(18)24/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyLIKDEMDAAJSRHH-INIZCTEOSA-N
MW421.37 g/mol
LogP4.52
Rot. Bonds9

About (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide

(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide (PubChem CID 100536342) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
PubChem CID100536342
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2O2/c1-3-12-25-22(28)16(2)26(13-11-17-7-5-4-6-8-17)21(27)14-18-9-10-19(23)15-20(18)24/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyLIKDEMDAAJSRHH-INIZCTEOSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132662907
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
CID 132659751
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494
(2R)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515413
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705678
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535585
(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
2-[[2-[N-(benzenesulfonyl)-2,4-dichloroanilino]acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132692200
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132679671
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132675484
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152720
2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide (CID 100536342) is (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The InChIKey is LIKDEMDAAJSRHH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-3-12-25-22(28)16(2)26(13-11-17-7-5-4-6-8-17)21(27)14-18-9-10-19(23)15-20(18)24/h4-10,15-16H,3,11-14H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide has a molecular weight of 421.37 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide is sourced from PubChem (CID 100536342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).