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

C24H31ClN2O2 — CID 100687476

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-5-18(4)26-24(29)22(6-2)27(16-19-13-11-17(3)12-14-19)23(28)15-20-9-7-8-10-21(20)25/h7-14,18,22H,5-6,15-16H2,1-4H3,(H,26,29)/t18-,22+/m0/s1
InChIKeyWAOURDILXLJVAN-PGRDOPGGSA-N
MW414.98 g/mol
LogP4.91
Rot. Bonds9

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

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (PubChem CID 100687476) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
PubChem CID100687476
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-5-18(4)26-24(29)22(6-2)27(16-19-13-11-17(3)12-14-19)23(28)15-20-9-7-8-10-21(20)25/h7-14,18,22H,5-6,15-16H2,1-4H3,(H,26,29)/t18-,22+/m0/s1
InChIKeyWAOURDILXLJVAN-PGRDOPGGSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132708071
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 100708164
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100716094
(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-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908
(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-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677923
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100683112
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]butanamide
CID 100733331
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanamide
CID 100688450
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]butanamide
CID 100708371
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100693779

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (CID 100687476) is (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The InChIKey is WAOURDILXLJVAN-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-5-18(4)26-24(29)22(6-2)27(16-19-13-11-17(3)12-14-19)23(28)15-20-9-7-8-10-21(20)25/h7-14,18,22H,5-6,15-16H2,1-4H3,(H,26,29)/t18-,22+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide has a molecular weight of 414.98 g/mol, XLogP of 4.91, 9 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-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 100687476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).