N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide

C16H24N2O3 — CID 113053159

IUPACN-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCOCCN(CCNC(=O)c1ccc(C)c(C)c1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-12-5-6-15(11-13(12)2)16(20)17-7-8-18(14(3)19)9-10-21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20)
InChIKeyYAABTRYLGXMOEA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds7

About N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide

N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide (PubChem CID 113053159) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide
PubChem CID113053159
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCOCCN(CCNC(=O)c1ccc(C)c(C)c1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-12-5-6-15(11-13(12)2)16(20)17-7-8-18(14(3)19)9-10-21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20)
InChIKeyYAABTRYLGXMOEA-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-methoxyethyl(2-methylpropyl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 32954048
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide (CID 113053159) is N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide is COCCN(CCNC(=O)c1ccc(C)c(C)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide?
The InChIKey is YAABTRYLGXMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-6-15(11-13(12)2)16(20)17-7-8-18(14(3)19)9-10-21-4/h5-6,11H,7-10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide?
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113053159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).