(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide

C25H27NO — CID 8012205

IUPAC(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-20(21-11-5-2-6-12-21)19-25(27)26-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3,(H,26,27)/t20-/m0/s1
InChIKeyCEVHUOYUVZGJDA-FQEVSTJZSA-N
MW357.50 g/mol
LogP5.52
Rot. Bonds8

About (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide

(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide (PubChem CID 8012205) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
PubChem CID8012205
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO/c1-20(21-11-5-2-6-12-21)19-25(27)26-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3,(H,26,27)/t20-/m0/s1
InChIKeyCEVHUOYUVZGJDA-FQEVSTJZSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42696880
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
3,3-diphenyl-N-propylpropanamide
CID 4638647

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide?
The IUPAC name of (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide (CID 8012205) is (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide is C[C@@H](CC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide?
The InChIKey is CEVHUOYUVZGJDA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27NO/c1-20(21-11-5-2-6-12-21)19-25(27)26-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24H,17-19H2,1H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide?
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide has a molecular weight of 357.50 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide is sourced from PubChem (CID 8012205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).