(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide

C23H31NO — CID 7112392

IUPAC(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-12-19(4-2)23(25)24-18-17-22(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,3-5,12,17-18H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyYOBXNBWCORXMJJ-LJQANCHMSA-N
MW337.51 g/mol
LogP5.54
Rot. Bonds10

About (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide

(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide (PubChem CID 7112392) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide.

Molecular Properties

Compound Name(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
PubChem CID7112392
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-12-19(4-2)23(25)24-18-17-22(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,3-5,12,17-18H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyYOBXNBWCORXMJJ-LJQANCHMSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
2-ethyl-N-pentylhexanamide
CID 5123867
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
2-ethylhexanoic acid;toluene
CID 67379128
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-butyl-2-phenylpropanamide
CID 101453557
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide?
The IUPAC name of (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide (CID 7112392) is (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide.
What is the SMILES notation for (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide?
The canonical SMILES for (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide is CCCC[C@@H](CC)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide?
The InChIKey is YOBXNBWCORXMJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-5-12-19(4-2)23(25)24-18-17-22(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,3-5,12,17-18H2,1-2H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide?
(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide has a molecular weight of 337.51 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide is sourced from PubChem (CID 7112392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).