2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide

C23H29ClN2O2 — CID 132661408

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-5-21(23(28)25-16(2)3)26(15-19-12-7-6-10-17(19)4)22(27)14-18-11-8-9-13-20(18)24/h6-13,16,21H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyIANBYTKTNQMOSX-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.52
Rot. Bonds8

About 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide

2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132661408) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
PubChem CID132661408
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O2/c1-5-21(23(28)25-16(2)3)26(15-19-12-7-6-10-17(19)4)22(27)14-18-11-8-9-13-20(18)24/h6-13,16,21H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyIANBYTKTNQMOSX-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132658446
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549818
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908
2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132664741
2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132684354
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132654865
(2R)-2-[(2-methylphenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 100734536
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132673328
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132669149
2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylbutanamide
CID 132657630
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (CID 132661408) is 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is IANBYTKTNQMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-5-21(23(28)25-16(2)3)26(15-19-12-7-6-10-17(19)4)22(27)14-18-11-8-9-13-20(18)24/h6-13,16,21H,5,14-15H2,1-4H3,(H,25,28).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 400.95 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132661408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).