ethane;N-methyl-4-(2-oxopropyl)benzamide

C13H19NO2 — CID 170580328

IUPACethane;N-methyl-4-(2-oxopropyl)benzamide
SMILESCC.CNC(=O)c1ccc(CC(C)=O)cc1
InChIInChI=1S/C11H13NO2.C2H6/c1-8(13)7-9-3-5-10(6-4-9)11(14)12-2;1-2/h3-6H,7H2,1-2H3,(H,12,14);1-2H3
InChIKeyZPGCVNHWPIEWHS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds3

About ethane;N-methyl-4-(2-oxopropyl)benzamide

ethane;N-methyl-4-(2-oxopropyl)benzamide (PubChem CID 170580328) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethane;N-methyl-4-(2-oxopropyl)benzamide.

Molecular Properties

Compound Nameethane;N-methyl-4-(2-oxopropyl)benzamide
PubChem CID170580328
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethane;N-methyl-4-(2-oxopropyl)benzamide
SMILESCC.CNC(=O)c1ccc(CC(C)=O)cc1
InChIInChI=1S/C11H13NO2.C2H6/c1-8(13)7-9-3-5-10(6-4-9)11(14)12-2;1-2/h3-6H,7H2,1-2H3,(H,12,14);1-2H3
InChIKeyZPGCVNHWPIEWHS-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
[4-(methylcarbamoyl)phenyl]methanesulfinic acid
CID 165455405
4-[2-(4-acetamidophenyl)acetyl]-N-[4-(2-oxopropyl)phenyl]benzamide
CID 160995920
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
CID 142235014
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(2-oxopropyl)benzamide?
The IUPAC name of ethane;N-methyl-4-(2-oxopropyl)benzamide (CID 170580328) is ethane;N-methyl-4-(2-oxopropyl)benzamide.
What is the SMILES notation for ethane;N-methyl-4-(2-oxopropyl)benzamide?
The canonical SMILES for ethane;N-methyl-4-(2-oxopropyl)benzamide is CC.CNC(=O)c1ccc(CC(C)=O)cc1.
What is the InChIKey of ethane;N-methyl-4-(2-oxopropyl)benzamide?
The InChIKey is ZPGCVNHWPIEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C2H6/c1-8(13)7-9-3-5-10(6-4-9)11(14)12-2;1-2/h3-6H,7H2,1-2H3,(H,12,14);1-2H3.
What are the key properties of ethane;N-methyl-4-(2-oxopropyl)benzamide?
ethane;N-methyl-4-(2-oxopropyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(2-oxopropyl)benzamide is sourced from PubChem (CID 170580328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).