ethane;N-[2-(hydroxymethyl)phenyl]acetamide

C11H17NO2 — CID 91162619

IUPACethane;N-[2-(hydroxymethyl)phenyl]acetamide
SMILESCC.CC(=O)Nc1ccccc1CO
InChIInChI=1S/C9H11NO2.C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;1-2/h2-5,11H,6H2,1H3,(H,10,12);1-2H3
InChIKeyMNYVUJUEFAWWJK-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.16
Rot. Bonds2

About ethane;N-[2-(hydroxymethyl)phenyl]acetamide

ethane;N-[2-(hydroxymethyl)phenyl]acetamide (PubChem CID 91162619) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;N-[2-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(hydroxymethyl)phenyl]acetamide
PubChem CID91162619
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;N-[2-(hydroxymethyl)phenyl]acetamide
SMILESCC.CC(=O)Nc1ccccc1CO
InChIInChI=1S/C9H11NO2.C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;1-2/h2-5,11H,6H2,1H3,(H,10,12);1-2H3
InChIKeyMNYVUJUEFAWWJK-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
(2-acetamidophenyl)methanesulfinic acid
CID 135349764

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of ethane;N-[2-(hydroxymethyl)phenyl]acetamide (CID 91162619) is ethane;N-[2-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for ethane;N-[2-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for ethane;N-[2-(hydroxymethyl)phenyl]acetamide is CC.CC(=O)Nc1ccccc1CO.
What is the InChIKey of ethane;N-[2-(hydroxymethyl)phenyl]acetamide?
The InChIKey is MNYVUJUEFAWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-7(12)10-9-5-3-2-4-8(9)6-11;1-2/h2-5,11H,6H2,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-[2-(hydroxymethyl)phenyl]acetamide?
ethane;N-[2-(hydroxymethyl)phenyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 91162619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).