ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen

C13H23NO — CID 142068448

IUPACethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)NCCc1ccc(C)cc1.[H][H]
InChIInChI=1S/C11H15NO.C2H6.H2/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;1-2;/h3-6H,7-8H2,1-2H3,(H,12,13);1-2H3;1H
InChIKeyBEQRAYRGWYFSPU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.95
Rot. Bonds3

About ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen

ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen (PubChem CID 142068448) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
PubChem CID142068448
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)NCCc1ccc(C)cc1.[H][H]
InChIInChI=1S/C11H15NO.C2H6.H2/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;1-2;/h3-6H,7-8H2,1-2H3,(H,12,13);1-2H3;1H
InChIKeyBEQRAYRGWYFSPU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen (CID 142068448) is ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen is CC.CC(=O)NCCc1ccc(C)cc1.[H][H].
What is the InChIKey of ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen?
The InChIKey is BEQRAYRGWYFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6.H2/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;1-2;/h3-6H,7-8H2,1-2H3,(H,12,13);1-2H3;1H.
What are the key properties of ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen?
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen has a molecular weight of 209.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 142068448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).