(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide

C29H33ClN2O2 — CID 100575770

IUPAC(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33ClN2O2/c1-3-19-31-29(34)27(4-2)32(21-22-15-17-25(30)18-16-22)28(33)20-26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,26-27H,3-4,19-21H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyJEULPGIPXGQJCF-HHHXNRCGSA-N
MW477.05 g/mol
LogP6.20
Rot. Bonds11

About (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide

(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide (PubChem CID 100575770) has the molecular formula C29H33ClN2O2 and a molecular weight of 477.05 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
PubChem CID100575770
Molecular FormulaC29H33ClN2O2
Molecular Weight477.05 g/mol
Exact Mass476.22
IUPAC Name(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33ClN2O2/c1-3-19-31-29(34)27(4-2)32(21-22-15-17-25(30)18-16-22)28(33)20-26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,26-27H,3-4,19-21H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyJEULPGIPXGQJCF-HHHXNRCGSA-N
XLogP6.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
CID 132986175
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132944232
(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
(2S)-2-[butanoyl-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576957
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100576993
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548461
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132675541
(2R)-2-[(4-chlorophenyl)methyl-(4-phenoxybutanoyl)amino]-N-propylbutanamide
CID 100575126
2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132668468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide (CID 100575770) is (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide?
The InChIKey is JEULPGIPXGQJCF-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H33ClN2O2/c1-3-19-31-29(34)27(4-2)32(21-22-15-17-25(30)18-16-22)28(33)20-26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,26-27H,3-4,19-21H2,1-2H3,(H,31,34)/t27-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide?
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide has a molecular weight of 477.05 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide is sourced from PubChem (CID 100575770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).