(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide

C30H34Cl2N2O2 — CID 100732982

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34Cl2N2O2/c1-4-21(3)33-30(36)28(5-2)34(20-22-16-17-26(31)27(32)18-22)29(35)19-25(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-18,21,25,28H,4-5,19-20H2,1-3H3,(H,33,36)/t21-,28-/m1/s1
InChIKeyJEGZBOFSBCJFKG-LYZGTLIUSA-N
MW525.52 g/mol
LogP7.24
Rot. Bonds11

About (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide (PubChem CID 100732982) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
PubChem CID100732982
Molecular FormulaC30H34Cl2N2O2
Molecular Weight525.52 g/mol
Exact Mass524.20
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34Cl2N2O2/c1-4-21(3)33-30(36)28(5-2)34(20-22-16-17-26(31)27(32)18-22)29(35)19-25(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-18,21,25,28H,4-5,19-20H2,1-3H3,(H,33,36)/t21-,28-/m1/s1
InChIKeyJEGZBOFSBCJFKG-LYZGTLIUSA-N
XLogP7.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.52
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide with MolForge

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Related Compounds

(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734904
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]butanamide
CID 100726543
(2S)-N-[(2R)-butan-2-yl]-2-[3,3-diphenylpropanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 100674181
(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
CID 100741054
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]butanamide
CID 100733331
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]butanamide
CID 125071180
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734924
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734919
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]butanamide
CID 100732069
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100726177
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100729835

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide (CID 100732982) is (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide is CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?
The InChIKey is JEGZBOFSBCJFKG-LYZGTLIUSA-N. The full InChI is InChI=1S/C30H34Cl2N2O2/c1-4-21(3)33-30(36)28(5-2)34(20-22-16-17-26(31)27(32)18-22)29(35)19-25(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-18,21,25,28H,4-5,19-20H2,1-3H3,(H,33,36)/t21-,28-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide has a molecular weight of 525.52 g/mol, XLogP of 7.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide is sourced from PubChem (CID 100732982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).