2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide

C14H19NO2 — CID 12682146

IUPAC2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide
SMILESC=C(C)C(C(=O)N(C)C)C(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(2)12(14(17)15(3)4)13(16)11-8-6-5-7-9-11/h5-9,12-13,16H,1H2,2-4H3
InChIKeySQJZXRMAWBLKLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide

2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide (PubChem CID 12682146) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide
PubChem CID12682146
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide
SMILESC=C(C)C(C(=O)N(C)C)C(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(2)12(14(17)15(3)4)13(16)11-8-6-5-7-9-11/h5-9,12-13,16H,1H2,2-4H3
InChIKeySQJZXRMAWBLKLK-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
(2S)-3-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139804
(1-hydroxy-1-phenylbut-3-en-2-yl) N,N-dimethylcarbamate
CID 102469609
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
methyl 2-[hydroxy(phenyl)methyl]-3-oxobutanoate
CID 102026591
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide (CID 12682146) is 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide is C=C(C)C(C(=O)N(C)C)C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide?
The InChIKey is SQJZXRMAWBLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)12(14(17)15(3)4)13(16)11-8-6-5-7-9-11/h5-9,12-13,16H,1H2,2-4H3.
What are the key properties of 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide?
2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide is sourced from PubChem (CID 12682146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).