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

C24H30Cl2N2O2 — CID 100725703

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-17(4)27-24(30)22(6-2)28(15-19-10-11-20(25)14-21(19)26)23(29)13-18-9-7-8-16(3)12-18/h7-12,14,17,22H,5-6,13,15H2,1-4H3,(H,27,30)/t17-,22-/m1/s1
InChIKeyRJQWRVKEIRCFRX-VGOFRKELSA-N
MW449.42 g/mol
LogP5.57
Rot. Bonds9

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

(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (PubChem CID 100725703) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
PubChem CID100725703
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-17(4)27-24(30)22(6-2)28(15-19-10-11-20(25)14-21(19)26)23(29)13-18-9-7-8-16(3)12-18/h7-12,14,17,22H,5-6,13,15H2,1-4H3,(H,27,30)/t17-,22-/m1/s1
InChIKeyRJQWRVKEIRCFRX-VGOFRKELSA-N
XLogP5.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanamide
CID 100725026
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677148
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725542
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]butanamide
CID 132716647
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,6-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677093
(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 100725426
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132717790
(2R)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 100719118
(2R)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 100717397
2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132666556
2-[butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132703691
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100667025

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide (CID 100725703) is (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
The InChIKey is RJQWRVKEIRCFRX-VGOFRKELSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-5-17(4)27-24(30)22(6-2)28(15-19-10-11-20(25)14-21(19)26)23(29)13-18-9-7-8-16(3)12-18/h7-12,14,17,22H,5-6,13,15H2,1-4H3,(H,27,30)/t17-,22-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide has a molecular weight of 449.42 g/mol, XLogP of 5.57, 9 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-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 100725703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).