3-acetamido-N-ethyl-4-methylbenzamide

C12H16N2O2 — CID 47211029

IUPAC3-acetamido-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C12H16N2O2/c1-4-13-12(16)10-6-5-8(2)11(7-10)14-9(3)15/h5-7H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBDBUTLAFUSELIG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.70
Rot. Bonds3

About 3-acetamido-N-ethyl-4-methylbenzamide

3-acetamido-N-ethyl-4-methylbenzamide (PubChem CID 47211029) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-acetamido-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-ethyl-4-methylbenzamide
PubChem CID47211029
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-acetamido-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C12H16N2O2/c1-4-13-12(16)10-6-5-8(2)11(7-10)14-9(3)15/h5-7H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBDBUTLAFUSELIG-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-ethyl-4-methylbenzamide (CID 47211029) is 3-acetamido-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-ethyl-4-methylbenzamide?
The InChIKey is BDBUTLAFUSELIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-13-12(16)10-6-5-8(2)11(7-10)14-9(3)15/h5-7H,4H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-acetamido-N-ethyl-4-methylbenzamide?
3-acetamido-N-ethyl-4-methylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 47211029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).