N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide

C21H26N2O4 — CID 113057678

IUPACN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O4/c1-14-6-7-20(15(2)10-14)23(16(3)24)9-8-22-21(25)17-11-18(26-4)13-19(12-17)27-5/h6-7,10-13H,8-9H2,1-5H3,(H,22,25)
InChIKeyZXMCQAKPJZDUTA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide

N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113057678) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
PubChem CID113057678
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O4/c1-14-6-7-20(15(2)10-14)23(16(3)24)9-8-22-21(25)17-11-18(26-4)13-19(12-17)27-5/h6-7,10-13H,8-9H2,1-5H3,(H,22,25)
InChIKeyZXMCQAKPJZDUTA-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
CID 113057667
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113060962
N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
CID 55625452
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide (CID 113057678) is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN(C(C)=O)c2ccc(C)cc2C)c1.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ZXMCQAKPJZDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-6-7-20(15(2)10-14)23(16(3)24)9-8-22-21(25)17-11-18(26-4)13-19(12-17)27-5/h6-7,10-13H,8-9H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113057678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).