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

C21H26N2O3 — CID 113057798

IUPACN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-16-9-10-17(2)20(15-16)23(18(3)24)13-12-22-21(25)11-14-26-19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeySHPOAGQLIWMXDF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.24
Rot. Bonds8

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

N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide (PubChem CID 113057798) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
PubChem CID113057798
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-16-9-10-17(2)20(15-16)23(18(3)24)13-12-22-21(25)11-14-26-19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeySHPOAGQLIWMXDF-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
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-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide (CID 113057798) is N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide?
The InChIKey is SHPOAGQLIWMXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-9-10-17(2)20(15-16)23(18(3)24)13-12-22-21(25)11-14-26-19-7-5-4-6-8-19/h4-10,15H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide?
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113057798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).