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

C30H36N2O2 — CID 100548461

IUPAC(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-4-20-31-30(34)28(5-2)32(22-26-19-13-12-14-23(26)3)29(33)21-27(24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-19,27-28H,4-5,20-22H2,1-3H3,(H,31,34)/t28-/m1/s1
InChIKeyIEZJDVKDDVWAFL-MUUNZHRXSA-N
MW456.63 g/mol
LogP5.85
Rot. Bonds11

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

(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100548461) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID100548461
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-4-20-31-30(34)28(5-2)32(22-26-19-13-12-14-23(26)3)29(33)21-27(24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-19,27-28H,4-5,20-22H2,1-3H3,(H,31,34)/t28-/m1/s1
InChIKeyIEZJDVKDDVWAFL-MUUNZHRXSA-N
XLogP5.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 132657546
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549818
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987
(2S)-2-[(2-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-propylbutanamide
CID 100543431
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
2-[[2-(4-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661423
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100543275
2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657947
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 132669053
(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132675541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide (CID 100548461) is (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is IEZJDVKDDVWAFL-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-4-20-31-30(34)28(5-2)32(22-26-19-13-12-14-23(26)3)29(33)21-27(24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-19,27-28H,4-5,20-22H2,1-3H3,(H,31,34)/t28-/m1/s1.
What are the key properties of (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide?
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 456.63 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100548461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).