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

C62H94N2O2 — CID 160944914

IUPACethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.O=C(Nc1ccccc1)[C@@H](CCCc1ccccc1)c1ccccc1.O=C(Nc1ccccc1)[C@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/2C23H23NO.8C2H6/c2*25-23(24-21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)18-10-13-19-11-4-1-5-12-19;8*1-2/h2*1-9,11-12,14-17,22H,10,13,18H2,(H,24,25);8*1-2H3/t2*22-;;;;;;;;/m10......../s1
InChIKeySUZHNFNTPRGWKD-HZYNJHOHSA-N
MW899.45 g/mol
LogP19.07
Rot. Bonds14

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

ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide (PubChem CID 160944914) has the molecular formula C62H94N2O2 and a molecular weight of 899.45 g/mol. Its IUPAC name is ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide.

Molecular Properties

Compound Nameethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
PubChem CID160944914
Molecular FormulaC62H94N2O2
Molecular Weight899.45 g/mol
Exact Mass898.73
IUPAC Nameethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.O=C(Nc1ccccc1)[C@@H](CCCc1ccccc1)c1ccccc1.O=C(Nc1ccccc1)[C@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/2C23H23NO.8C2H6/c2*25-23(24-21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)18-10-13-19-11-4-1-5-12-19;8*1-2/h2*1-9,11-12,14-17,22H,10,13,18H2,(H,24,25);8*1-2H3/t2*22-;;;;;;;;/m10......../s1
InChIKeySUZHNFNTPRGWKD-HZYNJHOHSA-N
XLogP19.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.45
LogP ≤ 519.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5-diphenylpentanoic acid
CID 7054365
ethane;(2R)-4-methyl-N,2,5-triphenylpentanamide;(2S)-4-methyl-N,2,5-triphenylpentanamide
CID 160554887
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
N-hydroxy-4-[(4-methoxy-2-phenylbutanoyl)amino]benzamide
CID 53257584
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide?
The IUPAC name of ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide (CID 160944914) is ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide.
What is the SMILES notation for ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide?
The canonical SMILES for ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide is CC.CC.CC.CC.CC.CC.CC.CC.O=C(Nc1ccccc1)[C@@H](CCCc1ccccc1)c1ccccc1.O=C(Nc1ccccc1)[C@H](CCCc1ccccc1)c1ccccc1.
What is the InChIKey of ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide?
The InChIKey is SUZHNFNTPRGWKD-HZYNJHOHSA-N. The full InChI is InChI=1S/2C23H23NO.8C2H6/c2*25-23(24-21-16-8-3-9-17-21)22(20-14-6-2-7-15-20)18-10-13-19-11-4-1-5-12-19;8*1-2/h2*1-9,11-12,14-17,22H,10,13,18H2,(H,24,25);8*1-2H3/t2*22-;;;;;;;;/m10......../s1.
What are the key properties of ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide?
ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide has a molecular weight of 899.45 g/mol, XLogP of 19.07, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide is sourced from PubChem (CID 160944914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).