(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide

C15H22N2O3 — CID 104709113

IUPAC(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCN(C)CC(C)(O)CNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(20,11-17(2)3)10-16-14(19)9-6-12-4-7-13(18)8-5-12/h4-9,18,20H,10-11H2,1-3H3,(H,16,19)/b9-6+
InChIKeyPWXLSCAGJIOTHY-RMKNXTFCSA-N
MW278.35 g/mol
LogP0.83
Rot. Bonds6

About (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 104709113) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID104709113
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCN(C)CC(C)(O)CNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(20,11-17(2)3)10-16-14(19)9-6-12-4-7-13(18)8-5-12/h4-9,18,20H,10-11H2,1-3H3,(H,16,19)/b9-6+
InChIKeyPWXLSCAGJIOTHY-RMKNXTFCSA-N
XLogP0.83
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103839582
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103840093
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]hexa-2,4-dienamide
CID 103839882
3-(4-fluorophenyl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056546
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
3-(4-chlorophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)prop-2-enamide
CID 77114275
(E)-3-(4-hydroxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 84555497
3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 115427323
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 111436137
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide (CID 104709113) is (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide is CN(C)CC(C)(O)CNC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is PWXLSCAGJIOTHY-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(20,11-17(2)3)10-16-14(19)9-6-12-4-7-13(18)8-5-12/h4-9,18,20H,10-11H2,1-3H3,(H,16,19)/b9-6+.
What are the key properties of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 278.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 104709113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).