ethane;N-(2-propylphenyl)acetamide

C13H21NO — CID 142804217

IUPACethane;N-(2-propylphenyl)acetamide
SMILESCC.CCCc1ccccc1NC(C)=O
InChIInChI=1S/C11H15NO.C2H6/c1-3-6-10-7-4-5-8-11(10)12-9(2)13;1-2/h4-5,7-8H,3,6H2,1-2H3,(H,12,13);1-2H3
InChIKeyUYTHUNGDWLSVEN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.62
Rot. Bonds3

About ethane;N-(2-propylphenyl)acetamide

ethane;N-(2-propylphenyl)acetamide (PubChem CID 142804217) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;N-(2-propylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-propylphenyl)acetamide
PubChem CID142804217
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;N-(2-propylphenyl)acetamide
SMILESCC.CCCc1ccccc1NC(C)=O
InChIInChI=1S/C11H15NO.C2H6/c1-3-6-10-7-4-5-8-11(10)12-9(2)13;1-2/h4-5,7-8H,3,6H2,1-2H3,(H,12,13);1-2H3
InChIKeyUYTHUNGDWLSVEN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-methylidene-N-(2-propylphenyl)butanamide
CID 142073975
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
(2-propylphenyl)carbamodithioic acid
CID 87193127
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-propylphenyl)acetamide?
The IUPAC name of ethane;N-(2-propylphenyl)acetamide (CID 142804217) is ethane;N-(2-propylphenyl)acetamide.
What is the SMILES notation for ethane;N-(2-propylphenyl)acetamide?
The canonical SMILES for ethane;N-(2-propylphenyl)acetamide is CC.CCCc1ccccc1NC(C)=O.
What is the InChIKey of ethane;N-(2-propylphenyl)acetamide?
The InChIKey is UYTHUNGDWLSVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-3-6-10-7-4-5-8-11(10)12-9(2)13;1-2/h4-5,7-8H,3,6H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-(2-propylphenyl)acetamide?
ethane;N-(2-propylphenyl)acetamide has a molecular weight of 207.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-propylphenyl)acetamide is sourced from PubChem (CID 142804217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).