3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C22H28N2O3 — CID 113129365

IUPAC3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)N(CC)c1cccc(C)c1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-5-23(19-11-9-10-17(3)16-19)22(26)14-15-24(18(4)25)20-12-7-8-13-21(20)27-6-2/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyDNTPDNVVNOGJPF-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.19
Rot. Bonds8

About 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113129365) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113129365
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)N(CC)c1cccc(C)c1)C(C)=O
InChIInChI=1S/C22H28N2O3/c1-5-23(19-11-9-10-17(3)16-19)22(26)14-15-24(18(4)25)20-12-7-8-13-21(20)27-6-2/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyDNTPDNVVNOGJPF-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113129365) is 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCOc1ccccc1N(CCC(=O)N(CC)c1cccc(C)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is DNTPDNVVNOGJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-23(19-11-9-10-17(3)16-19)22(26)14-15-24(18(4)25)20-12-7-8-13-21(20)27-6-2/h7-13,16H,5-6,14-15H2,1-4H3.
What are the key properties of 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113129365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).