2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide

C30H35ClN2O2 — CID 132986175

IUPAC2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35ClN2O2/c1-4-28(30(35)32-20-22(2)3)33(21-23-15-17-26(31)18-16-23)29(34)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,22,27-28H,4,19-21H2,1-3H3,(H,32,35)
InChIKeyJDOJIDWUEQVCTD-UHFFFAOYSA-N
MW491.08 g/mol
LogP6.44
Rot. Bonds11

About 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide

2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide (PubChem CID 132986175) has the molecular formula C30H35ClN2O2 and a molecular weight of 491.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
PubChem CID132986175
Molecular FormulaC30H35ClN2O2
Molecular Weight491.08 g/mol
Exact Mass490.24
IUPAC Name2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35ClN2O2/c1-4-28(30(35)32-20-22(2)3)33(21-23-15-17-26(31)18-16-23)29(34)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,22,27-28H,4,19-21H2,1-3H3,(H,32,35)
InChIKeyJDOJIDWUEQVCTD-UHFFFAOYSA-N
XLogP6.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.08
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132944232
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)butanamide
CID 132700111
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132739845
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132708841
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132712765
2-[(4-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)butanamide
CID 132711152
2-[(4-bromophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173494
(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
2-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132744373
2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)butanamide
CID 132716049

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide (CID 132986175) is 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide?
The InChIKey is JDOJIDWUEQVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O2/c1-4-28(30(35)32-20-22(2)3)33(21-23-15-17-26(31)18-16-23)29(34)19-27(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,22,27-28H,4,19-21H2,1-3H3,(H,32,35).
What are the key properties of 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide?
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide has a molecular weight of 491.08 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132986175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).