N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

C23H29ClN2O2 — CID 132705678

IUPACN-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O2/c1-3-4-15-25-23(28)18(2)26(16-14-19-8-6-5-7-9-19)22(27)17-20-10-12-21(24)13-11-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,25,28)
InChIKeyRCPGIEHEPSBVSP-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.26
Rot. Bonds10

About N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132705678) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132705678
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O2/c1-3-4-15-25-23(28)18(2)26(16-14-19-8-6-5-7-9-19)22(27)17-20-10-12-21(24)13-11-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,25,28)
InChIKeyRCPGIEHEPSBVSP-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132654073
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704484
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100536342
2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657500
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132705262
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
4-(4-chloro-N-methylsulfonylanilino)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100535452
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132705678) is N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is CCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is RCPGIEHEPSBVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-3-4-15-25-23(28)18(2)26(16-14-19-8-6-5-7-9-19)22(27)17-20-10-12-21(24)13-11-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,25,28).
What are the key properties of N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 400.95 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132705678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).