ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide

C25H35NO2 — CID 54094924

IUPACethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide
SMILESCC.CC.CC1=C(C(O)C(=O)NC(C)(C)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C21H23NO2.2C2H6/c1-14-13-15-9-7-8-12-17(15)18(14)19(23)20(24)22-21(2,3)16-10-5-4-6-11-16;2*1-2/h4-12,19,23H,13H2,1-3H3,(H,22,24);2*1-2H3
InChIKeyMWLHCEUNCKNGOJ-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.48
Rot. Bonds4

About ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide

ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide (PubChem CID 54094924) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Nameethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide
PubChem CID54094924
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Nameethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide
SMILESCC.CC.CC1=C(C(O)C(=O)NC(C)(C)c2ccccc2)c2ccccc2C1
InChIInChI=1S/C21H23NO2.2C2H6/c1-14-13-15-9-7-8-12-17(15)18(14)19(23)20(24)22-21(2,3)16-10-5-4-6-11-16;2*1-2/h4-12,19,23H,13H2,1-3H3,(H,22,24);2*1-2H3
InChIKeyMWLHCEUNCKNGOJ-UHFFFAOYSA-N
XLogP5.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium
CID 158962733
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
2-(4-methylphenyl)-N-(2-phenylpropan-2-yl)benzamide
CID 101062971
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2,3-dimethyl-1H-indene;ethane
CID 54108652
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide?
The IUPAC name of ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide (CID 54094924) is ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide.
What is the SMILES notation for ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide?
The canonical SMILES for ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide is CC.CC.CC1=C(C(O)C(=O)NC(C)(C)c2ccccc2)c2ccccc2C1.
What is the InChIKey of ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide?
The InChIKey is MWLHCEUNCKNGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.2C2H6/c1-14-13-15-9-7-8-12-17(15)18(14)19(23)20(24)22-21(2,3)16-10-5-4-6-11-16;2*1-2/h4-12,19,23H,13H2,1-3H3,(H,22,24);2*1-2H3.
What are the key properties of ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide?
ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide has a molecular weight of 381.56 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 54094924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).