5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide

C16H26N2O3 — CID 62337288

IUPAC5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCOc1cccc(OCC)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-4-18-16(3,15(17)19)10-7-11-21-14-9-6-8-13(12-14)20-5-2/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H2,17,19)
InChIKeyIVUXSYRBHRZRQD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds10

About 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide

5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide (PubChem CID 62337288) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
PubChem CID62337288
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CCCOc1cccc(OCC)c1)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-4-18-16(3,15(17)19)10-7-11-21-14-9-6-8-13(12-14)20-5-2/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H2,17,19)
InChIKeyIVUXSYRBHRZRQD-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
2-(ethylamino)-2-methyl-4-quinolin-7-yloxybutanamide
CID 107314784
ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 116566228
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide (CID 62337288) is 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CCCOc1cccc(OCC)c1)C(N)=O.
What is the InChIKey of 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide?
The InChIKey is IVUXSYRBHRZRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-18-16(3,15(17)19)10-7-11-21-14-9-6-8-13(12-14)20-5-2/h6,8-9,12,18H,4-5,7,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide?
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 62337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).