2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid

C16H25NO3 — CID 64707386

IUPAC2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-5-13-8-7-9-14(10-13)20-12(3)11-16(4,15(18)19)17-6-2/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyKJLWVLTWUODXQQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds8

About 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid

2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid (PubChem CID 64707386) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
PubChem CID64707386
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-5-13-8-7-9-14(10-13)20-12(3)11-16(4,15(18)19)17-6-2/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyKJLWVLTWUODXQQ-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706231

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid (CID 64707386) is 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid is CCNC(C)(CC(C)Oc1cccc(CC)c1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid?
The InChIKey is KJLWVLTWUODXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-13-8-7-9-14(10-13)20-12(3)11-16(4,15(18)19)17-6-2/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid?
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid is sourced from PubChem (CID 64707386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).