N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide

C21H26N2O2 — CID 113058508

IUPACN-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
SMILESCCc1cccc(C)c1N(CCNC(=O)c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(3)20(18)23(17(4)24)14-13-22-21(25)19-11-9-15(2)10-12-19/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyNJMUIEWZKRXFFG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide

N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide (PubChem CID 113058508) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
PubChem CID113058508
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
SMILESCCc1cccc(C)c1N(CCNC(=O)c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(3)20(18)23(17(4)24)14-13-22-21(25)19-11-9-15(2)10-12-19/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeyNJMUIEWZKRXFFG-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
CID 113058875
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]propanamide
CID 113058073
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide (CID 113058508) is N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide is CCc1cccc(C)c1N(CCNC(=O)c1ccc(C)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide?
The InChIKey is NJMUIEWZKRXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(3)20(18)23(17(4)24)14-13-22-21(25)19-11-9-15(2)10-12-19/h6-12H,5,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide?
N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 113058508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).