4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide

C14H22N2O2 — CID 107734511

IUPAC4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)CCN)c1cc(O)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)7-8-15)13-9-12(17)6-5-10(13)2/h5-6,9,11,17H,4,7-8,15H2,1-3H3
InChIKeyVTZICDGZCJHVSW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds5

About 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide

4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide (PubChem CID 107734511) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
PubChem CID107734511
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide
SMILESCCN(C(=O)C(C)CCN)c1cc(O)ccc1C
InChIInChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)7-8-15)13-9-12(17)6-5-10(13)2/h5-6,9,11,17H,4,7-8,15H2,1-3H3
InChIKeyVTZICDGZCJHVSW-UHFFFAOYSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide (CID 107734511) is 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide is CCN(C(=O)C(C)CCN)c1cc(O)ccc1C.
What is the InChIKey of 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide?
The InChIKey is VTZICDGZCJHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(14(18)11(3)7-8-15)13-9-12(17)6-5-10(13)2/h5-6,9,11,17H,4,7-8,15H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide?
4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 107734511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).