N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide

C19H22N2O4 — CID 113057179

IUPACN-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(22)21(15-8-5-4-6-9-15)13-12-20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyAODAQTZEXJLIBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide

N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide (PubChem CID 113057179) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
PubChem CID113057179
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(22)21(15-8-5-4-6-9-15)13-12-20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyAODAQTZEXJLIBQ-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113053535
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
CID 113057161
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide (CID 113057179) is N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is AODAQTZEXJLIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)21(15-8-5-4-6-9-15)13-12-20-19(23)18-16(24-2)10-7-11-17(18)25-3/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide?
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113057179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).