3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide

C16H26N2O2 — CID 107667956

IUPAC3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(COc1ccc(C(C)CC)cc1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-5-12(3)13-7-9-14(10-8-13)20-11-16(4,15(17)19)18-6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19)
InChIKeyJOOKVOWABRAELA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds8

About 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide

3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide (PubChem CID 107667956) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
PubChem CID107667956
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(COc1ccc(C(C)CC)cc1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-5-12(3)13-7-9-14(10-8-13)20-11-16(4,15(17)19)18-6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19)
InChIKeyJOOKVOWABRAELA-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)propanoate
CID 107667946
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
methyl 2-amino-4-(4-butan-2-ylphenoxy)-2-methylbutanoate
CID 107667958
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
3-(4-butan-2-ylphenoxy)-2,2-dimethylpropane-1-thiol
CID 107669469
tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
CID 107663499
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
3-(4-butan-2-ylphenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 107667914

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide (CID 107667956) is 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(COc1ccc(C(C)CC)cc1)C(N)=O.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is JOOKVOWABRAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(3)13-7-9-14(10-8-13)20-11-16(4,15(17)19)18-6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19).
What are the key properties of 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide?
3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 107667956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).