(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

C25H34N2O2 — CID 100532436

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-20(5)26-25(29)21(6)27(16-23-11-9-8-10-19(23)4)24(28)15-22-13-17(2)12-18(3)14-22/h8-14,20-21H,7,15-16H2,1-6H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyXFTOHKNGULJWTG-NHCUHLMSSA-N
MW394.56 g/mol
LogP4.49
Rot. Bonds8

About (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 100532436) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID100532436
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O2/c1-7-20(5)26-25(29)21(6)27(16-23-11-9-8-10-19(23)4)24(28)15-22-13-17(2)12-18(3)14-22/h8-14,20-21H,7,15-16H2,1-6H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyXFTOHKNGULJWTG-NHCUHLMSSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100532408
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100532383
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 132701697
(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100530092
(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 100524896
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707007
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100531719
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100529981
N-butan-2-yl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707003
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]propanamide
CID 100555458
(2R)-N-[(2S)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 100524709

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 100532436) is (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is XFTOHKNGULJWTG-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-7-20(5)26-25(29)21(6)27(16-23-11-9-8-10-19(23)4)24(28)15-22-13-17(2)12-18(3)14-22/h8-14,20-21H,7,15-16H2,1-6H3,(H,26,29)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.49, 8 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-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 100532436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).