N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide

C21H26N2O3 — CID 113058428

IUPACN-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
SMILESCCc1ccc(N(CCNC(=O)CCOc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-3-18-9-11-19(12-10-18)23(17(2)24)15-14-22-21(25)13-16-26-20-7-5-4-6-8-20/h4-12H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyMKFPBKRQHUTOOJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide

N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide (PubChem CID 113058428) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
PubChem CID113058428
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
SMILESCCc1ccc(N(CCNC(=O)CCOc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-3-18-9-11-19(12-10-18)23(17(2)24)15-14-22-21(25)13-16-26-20-7-5-4-6-8-20/h4-12H,3,13-16H2,1-2H3,(H,22,25)
InChIKeyMKFPBKRQHUTOOJ-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-3-phenoxypropanamide
CID 113064450
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide (CID 113058428) is N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide is CCc1ccc(N(CCNC(=O)CCOc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide?
The InChIKey is MKFPBKRQHUTOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-18-9-11-19(12-10-18)23(17(2)24)15-14-22-21(25)13-16-26-20-7-5-4-6-8-20/h4-12H,3,13-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide?
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.19, 9 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-ethylanilino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113058428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).