(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

C26H36N2O2 — CID 100683172

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C26H36N2O2/c1-6-21(5)27-26(30)24(7-2)28(18-23-14-10-20(4)11-15-23)25(29)17-16-22-12-8-19(3)9-13-22/h8-15,21,24H,6-7,16-18H2,1-5H3,(H,27,30)/t21-,24+/m0/s1
InChIKeyVSZKAEDOIXESEZ-XUZZJYLKSA-N
MW408.59 g/mol
LogP4.96
Rot. Bonds10

About (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide

(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (PubChem CID 100683172) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
PubChem CID100683172
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C26H36N2O2/c1-6-21(5)27-26(30)24(7-2)28(18-23-14-10-20(4)11-15-23)25(29)17-16-22-12-8-19(3)9-13-22/h8-15,21,24H,6-7,16-18H2,1-5H3,(H,27,30)/t21-,24+/m0/s1
InChIKeyVSZKAEDOIXESEZ-XUZZJYLKSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100703862
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100731042
2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132706620
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100709483
(2S)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100667910
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100572122
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132650775
N-butan-2-yl-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 132719867
(2S)-N-[(2S)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100678202
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100687714
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100683112
(2S)-N-[(2S)-butan-2-yl]-2-[4-(4-methyl-N-methylsulfonylanilino)butanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 125093906

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide (CID 100683172) is (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
The InChIKey is VSZKAEDOIXESEZ-XUZZJYLKSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-6-21(5)27-26(30)24(7-2)28(18-23-14-10-20(4)11-15-23)25(29)17-16-22-12-8-19(3)9-13-22/h8-15,21,24H,6-7,16-18H2,1-5H3,(H,27,30)/t21-,24+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide?
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide has a molecular weight of 408.59 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide is sourced from PubChem (CID 100683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).