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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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 43210202
(2S)-2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 107734446
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,3-dimethylbutanamide
CID 107734495
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
CID 80543945
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 107737106
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829638
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107734513
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112

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).