N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide

C23H29ClN2O2 — CID 132705664

IUPACN-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(16-20-12-8-9-13-21(20)24)22(27)15-14-19-10-6-5-7-11-19/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyWRYUPZDJIVBDHU-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.60
Rot. Bonds9

About N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide

N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide (PubChem CID 132705664) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
PubChem CID132705664
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1
InChIInChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(16-20-12-8-9-13-21(20)24)22(27)15-14-19-10-6-5-7-11-19/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyWRYUPZDJIVBDHU-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100556959
(2R)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100554862
(2R)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 100576679
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132712827
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100557658
(2S)-2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100522142
(2R)-2-[(2-benzylsulfanylacetyl)-[(2-chlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100550490
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
N-butan-2-yl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]propanamide
CID 132708082
(2S)-N-[(2R)-butan-2-yl]-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574362
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-phenoxybutanamide
CID 100555164

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide (CID 132705664) is N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide is CCC(C)NC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1.
What is the InChIKey of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The InChIKey is WRYUPZDJIVBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(16-20-12-8-9-13-21(20)24)22(27)15-14-19-10-6-5-7-11-19/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide has a molecular weight of 400.95 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide is sourced from PubChem (CID 132705664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).