4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid

C17H27NO3 — CID 64706561

IUPAC4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O
InChIInChI=1S/C17H27NO3/c1-5-10-18-17(4,16(19)20)12-13(3)21-15-9-7-8-14(6-2)11-15/h7-9,11,13,18H,5-6,10,12H2,1-4H3,(H,19,20)
InChIKeyGYPKAEZSJHNVCI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds9

About 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid

4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64706561) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64706561
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O
InChIInChI=1S/C17H27NO3/c1-5-10-18-17(4,16(19)20)12-13(3)21-15-9-7-8-14(6-2)11-15/h7-9,11,13,18H,5-6,10,12H2,1-4H3,(H,19,20)
InChIKeyGYPKAEZSJHNVCI-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid (CID 64706561) is 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O.
What is the InChIKey of 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is GYPKAEZSJHNVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-10-18-17(4,16(19)20)12-13(3)21-15-9-7-8-14(6-2)11-15/h7-9,11,13,18H,5-6,10,12H2,1-4H3,(H,19,20).
What are the key properties of 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid?
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).