ethane;N-[(2-ethylphenyl)methyl]acetamide

C13H21NO — CID 142489172

IUPACethane;N-[(2-ethylphenyl)methyl]acetamide
SMILESCC.CCc1ccccc1CNC(C)=O
InChIInChI=1S/C11H15NO.C2H6/c1-3-10-6-4-5-7-11(10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3
InChIKeyOZFIIAPXPGAWEW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.91
Rot. Bonds3

About ethane;N-[(2-ethylphenyl)methyl]acetamide

ethane;N-[(2-ethylphenyl)methyl]acetamide (PubChem CID 142489172) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;N-[(2-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2-ethylphenyl)methyl]acetamide
PubChem CID142489172
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;N-[(2-ethylphenyl)methyl]acetamide
SMILESCC.CCc1ccccc1CNC(C)=O
InChIInChI=1S/C11H15NO.C2H6/c1-3-10-6-4-5-7-11(10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3
InChIKeyOZFIIAPXPGAWEW-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
ethane;1-[(2-ethylphenyl)methyl]-3-methylurea
CID 142017164
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-[(2-ethylphenyl)methylcarbamoylamino]acetic acid
CID 64693284
N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428
carbonic acid;1,2-diethylbenzene
CID 89388803
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-ethylphenyl)methyl]acetamide?
The IUPAC name of ethane;N-[(2-ethylphenyl)methyl]acetamide (CID 142489172) is ethane;N-[(2-ethylphenyl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(2-ethylphenyl)methyl]acetamide?
The canonical SMILES for ethane;N-[(2-ethylphenyl)methyl]acetamide is CC.CCc1ccccc1CNC(C)=O.
What is the InChIKey of ethane;N-[(2-ethylphenyl)methyl]acetamide?
The InChIKey is OZFIIAPXPGAWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-3-10-6-4-5-7-11(10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-[(2-ethylphenyl)methyl]acetamide?
ethane;N-[(2-ethylphenyl)methyl]acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 142489172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).