(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide

C14H19NO2 — CID 12682167

IUPAC(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)N(C)C)CC(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3/b11-10-
InChIKeyIKDWZYDLFCDBMD-KHPPLWFESA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds4

About (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide

(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide (PubChem CID 12682167) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide
PubChem CID12682167
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)N(C)C)CC(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3/b11-10-
InChIKeyIKDWZYDLFCDBMD-KHPPLWFESA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
N-Acetyl-(+)-Pseudoephedrine
CID 11344789
N-(1-Hydroxy-1-phenylpropan-2-yl)-N,2-dimethylprop-2-enamide
CID 38091
2,4-Hexadienamide, 6-hydroxy-N-(2-methylpropyl)-6-phenyl-, (E,E)-
CID 6449391
2,4-Hexadienamide, 6-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
CID 6449392
2,4-Hexadienamide, 6-hydroxy-6-phenyl-, (E,E)-
CID 6449395
N-Acetylephedrine
CID 6451383
3-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 338409
N-(4-phenyl-4-hydroxy-2-butynyl)-N,N-diethylamine
CID 2840585
3-hydroxy-N,N,N-trimethyl-3-phenylpropan-1-aminium
CID 3026695
(1R,2R)-(-)-Pseudoephedrinepropionamide
CID 10799021

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide?
The IUPAC name of (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide (CID 12682167) is (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide.
What is the SMILES notation for (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide?
The canonical SMILES for (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide is C/C(=C/C(=O)N(C)C)CC(O)c1ccccc1.
What is the InChIKey of (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide?
The InChIKey is IKDWZYDLFCDBMD-KHPPLWFESA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,10,13,16H,9H2,1-3H3/b11-10-.
What are the key properties of (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide?
(Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-N,N,3-trimethyl-5-phenylpent-2-enamide is sourced from PubChem (CID 12682167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).