2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide

C21H27FN2O4 — CID 78831986

IUPAC2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(O)COCc1ccccc1F
InChIInChI=1S/C21H27FN2O4/c1-3-24(13-21(26)23-17-8-6-9-19(11-17)27-2)12-18(25)15-28-14-16-7-4-5-10-20(16)22/h4-11,18,25H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyZSWVTTUYYSVERZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.67
Rot. Bonds11

About 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 78831986) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID78831986
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(O)COCc1ccccc1F
InChIInChI=1S/C21H27FN2O4/c1-3-24(13-21(26)23-17-8-6-9-19(11-17)27-2)12-18(25)15-28-14-16-7-4-5-10-20(16)22/h4-11,18,25H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyZSWVTTUYYSVERZ-UHFFFAOYSA-N
XLogP2.67
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
N-tert-butyl-2-[ethyl-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]amino]acetamide
CID 4830565
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide (CID 78831986) is 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(O)COCc1ccccc1F.
What is the InChIKey of 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZSWVTTUYYSVERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-3-24(13-21(26)23-17-8-6-9-19(11-17)27-2)12-18(25)15-28-14-16-7-4-5-10-20(16)22/h4-11,18,25H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 78831986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).