ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide

C64H98N2O2 — CID 160554887

IUPACethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(Cc1ccccc1)CC(C(=O)Nc1ccccc1)c1ccccc1.CC(Cc1ccccc1)C[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/2C24H25NO.8C2H6/c2*1-19(17-20-11-5-2-6-12-20)18-23(21-13-7-3-8-14-21)24(26)25-22-15-9-4-10-16-22;8*1-2/h2*2-16,19,23H,17-18H2,1H3,(H,25,26);8*1-2H3/t19?,23-;;;;;;;;;/m0........./s1
InChIKeyQYNXBJVUGGGWPO-JBXXHOCISA-N
MW927.50 g/mol
LogP19.57
Rot. Bonds14

About ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide

ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide (PubChem CID 160554887) has the molecular formula C64H98N2O2 and a molecular weight of 927.50 g/mol. Its IUPAC name is ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide.

Molecular Properties

Compound Nameethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide
PubChem CID160554887
Molecular FormulaC64H98N2O2
Molecular Weight927.50 g/mol
Exact Mass926.76
IUPAC Nameethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(Cc1ccccc1)CC(C(=O)Nc1ccccc1)c1ccccc1.CC(Cc1ccccc1)C[C@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/2C24H25NO.8C2H6/c2*1-19(17-20-11-5-2-6-12-20)18-23(21-13-7-3-8-14-21)24(26)25-22-15-9-4-10-16-22;8*1-2/h2*2-16,19,23H,17-18H2,1H3,(H,25,26);8*1-2H3/t19?,23-;;;;;;;;;/m0........./s1
InChIKeyQYNXBJVUGGGWPO-JBXXHOCISA-N
XLogP19.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.50
LogP ≤ 519.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,5-diphenylpentanoic acid
CID 82160563
ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
CID 160944914
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide?
The IUPAC name of ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide (CID 160554887) is ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide.
What is the SMILES notation for ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide?
The canonical SMILES for ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide is CC.CC.CC.CC.CC.CC.CC.CC.CC(Cc1ccccc1)CC(C(=O)Nc1ccccc1)c1ccccc1.CC(Cc1ccccc1)C[C@H](C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide?
The InChIKey is QYNXBJVUGGGWPO-JBXXHOCISA-N. The full InChI is InChI=1S/2C24H25NO.8C2H6/c2*1-19(17-20-11-5-2-6-12-20)18-23(21-13-7-3-8-14-21)24(26)25-22-15-9-4-10-16-22;8*1-2/h2*2-16,19,23H,17-18H2,1H3,(H,25,26);8*1-2H3/t19?,23-;;;;;;;;;/m0........./s1.
What are the key properties of ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide?
ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide has a molecular weight of 927.50 g/mol, XLogP of 19.57, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide is sourced from PubChem (CID 160554887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).