N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

C23H29ClN2O2 — CID 132705652

IUPACN-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(14-13-19-9-6-5-7-10-19)22(27)16-20-11-8-12-21(24)15-20/h5-12,15,17-18H,4,13-14,16H2,1-3H3,(H,25,28)
InChIKeyXFQVSJYGPTVCLG-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.26
Rot. Bonds9

About N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132705652) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132705652
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(14-13-19-9-6-5-7-10-19)22(27)16-20-11-8-12-21(24)15-20/h5-12,15,17-18H,4,13-14,16H2,1-3H3,(H,25,28)
InChIKeyXFQVSJYGPTVCLG-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566840
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100640144
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705654
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575415
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100637034
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625235
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125089660
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100633236
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624357
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625126

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132705652) is N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is CCC(C)NC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is XFQVSJYGPTVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-4-17(2)25-23(28)18(3)26(14-13-19-9-6-5-7-10-19)22(27)16-20-11-8-12-21(24)15-20/h5-12,15,17-18H,4,13-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 400.95 g/mol, XLogP of 4.26, 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-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132705652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).