2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide

C30H36N2O2 — CID 132675541

IUPAC2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-3-21-31-30(34)28(4-2)32(22-20-24-14-8-5-9-15-24)29(33)23-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-28H,3-4,20-23H2,1-2H3,(H,31,34)
InChIKeyDYRHDWWBYVJYLD-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.58
Rot. Bonds12

About 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide

2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide (PubChem CID 132675541) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
PubChem CID132675541
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O2/c1-3-21-31-30(34)28(4-2)32(22-20-24-14-8-5-9-15-24)29(33)23-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-28H,3-4,20-23H2,1-2H3,(H,31,34)
InChIKeyDYRHDWWBYVJYLD-UHFFFAOYSA-N
XLogP5.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548461
(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The IUPAC name of 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide (CID 132675541) is 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide.
What is the SMILES notation for 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The canonical SMILES for 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The InChIKey is DYRHDWWBYVJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-3-21-31-30(34)28(4-2)32(22-20-24-14-8-5-9-15-24)29(33)23-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-28H,3-4,20-23H2,1-2H3,(H,31,34).
What are the key properties of 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide has a molecular weight of 456.63 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 132675541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).