(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide

C14H20N2O2 — CID 113475584

IUPAC(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)C(C)(C)CO
InChIInChI=1S/C14H20N2O2/c1-14(2,10-17)16(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9,17H,10,15H2,1-3H3/b9-6+
InChIKeyDOJOXBKPUOJJHK-RMKNXTFCSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide

(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide (PubChem CID 113475584) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
PubChem CID113475584
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)C(C)(C)CO
InChIInChI=1S/C14H20N2O2/c1-14(2,10-17)16(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9,17H,10,15H2,1-3H3/b9-6+
InChIKeyDOJOXBKPUOJJHK-RMKNXTFCSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 115342821
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 115344008
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 115343538
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide (CID 113475584) is (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(N)cc1)C(C)(C)CO.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide?
The InChIKey is DOJOXBKPUOJJHK-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,10-17)16(3)13(18)9-6-11-4-7-12(15)8-5-11/h4-9,17H,10,15H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 113475584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).