4-(acetamidomethyl)-N-ethylbenzamide

C12H16N2O2 — CID 20648409

IUPAC4-(acetamidomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-3-13-12(16)11-6-4-10(5-7-11)8-14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIFQBOYRODGXITI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds4

About 4-(acetamidomethyl)-N-ethylbenzamide

4-(acetamidomethyl)-N-ethylbenzamide (PubChem CID 20648409) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-ethylbenzamide
PubChem CID20648409
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(acetamidomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-3-13-12(16)11-6-4-10(5-7-11)8-14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyIFQBOYRODGXITI-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[(2-methylprop-2-enoylamino)methyl]benzamide
CID 59903019
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
4-(acetamidomethyl)benzoate
CID 4573914
4-(acetamidomethyl)benzoyl chloride
CID 13131539
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-ethylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-ethylbenzamide (CID 20648409) is 4-(acetamidomethyl)-N-ethylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-ethylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-ethylbenzamide is CCNC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-ethylbenzamide?
The InChIKey is IFQBOYRODGXITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-13-12(16)11-6-4-10(5-7-11)8-14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-(acetamidomethyl)-N-ethylbenzamide?
4-(acetamidomethyl)-N-ethylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-ethylbenzamide is sourced from PubChem (CID 20648409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).