N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide

C20H24N2O3 — CID 113060837

IUPACN-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
SMILESCCOc1ccc(N(CCNC(=O)c2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-25-18-11-9-17(10-12-18)22(16(3)23)14-13-21-20(24)19-8-6-5-7-15(19)2/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyIBNCJOGMDOXJSQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide

N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide (PubChem CID 113060837) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
PubChem CID113060837
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
SMILESCCOc1ccc(N(CCNC(=O)c2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-4-25-18-11-9-17(10-12-18)22(16(3)23)14-13-21-20(24)19-8-6-5-7-15(19)2/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyIBNCJOGMDOXJSQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113060835
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-bromobenzamide
CID 113064324
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide (CID 113060837) is N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide is CCOc1ccc(N(CCNC(=O)c2ccccc2C)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide?
The InChIKey is IBNCJOGMDOXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-18-11-9-17(10-12-18)22(16(3)23)14-13-21-20(24)19-8-6-5-7-15(19)2/h5-12H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide?
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113060837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).