(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide

C18H27NO2 — CID 110002498

IUPAC(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C(/C)CCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-4-18(3,12-13-20)19-17(21)14-15(2)10-11-16-8-6-5-7-9-16/h5-9,14,20H,4,10-13H2,1-3H3,(H,19,21)/b15-14-
InChIKeyKOXPYMXTOKZQFG-PFONDFGASA-N
MW289.42 g/mol
LogP3.23
Rot. Bonds8

About (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide

(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide (PubChem CID 110002498) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
PubChem CID110002498
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C(/C)CCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-4-18(3,12-13-20)19-17(21)14-15(2)10-11-16-8-6-5-7-9-16/h5-9,14,20H,4,10-13H2,1-3H3,(H,19,21)/b15-14-
InChIKeyKOXPYMXTOKZQFG-PFONDFGASA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
CID 106176498
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
N-(1-bromo-3-methylpentan-3-yl)-4-phenylbutanamide
CID 114153222
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
CID 95289169
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
benzyl 3-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methylpropanoate
CID 106175564
(E)-3-(furan-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103945656
(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
CID 86876341
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 103945748

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide?
The IUPAC name of (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide (CID 110002498) is (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide.
What is the SMILES notation for (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide?
The canonical SMILES for (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide is CCC(C)(CCO)NC(=O)/C=C(/C)CCc1ccccc1.
What is the InChIKey of (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide?
The InChIKey is KOXPYMXTOKZQFG-PFONDFGASA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-18(3,12-13-20)19-17(21)14-15(2)10-11-16-8-6-5-7-9-16/h5-9,14,20H,4,10-13H2,1-3H3,(H,19,21)/b15-14-.
What are the key properties of (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide?
(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide is sourced from PubChem (CID 110002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).