(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C18H27NO2 — CID 103945790

IUPAC(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-5-18(4,12-13-20)19-17(21)11-8-15-6-9-16(10-7-15)14(2)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,19,21)/b11-8+
InChIKeyKKOCYAWVZAZVDO-DHZHZOJOSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds7

About (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 103945790) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID103945790
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-5-18(4,12-13-20)19-17(21)11-8-15-6-9-16(10-7-15)14(2)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,19,21)/b11-8+
InChIKeyKKOCYAWVZAZVDO-DHZHZOJOSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
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

(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 77046984
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(E)-3-(furan-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103945656
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 103945748
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
3-(4-cyanophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046773
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 77046708

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 103945790) is (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CCC(C)(CCO)NC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is KKOCYAWVZAZVDO-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-18(4,12-13-20)19-17(21)11-8-15-6-9-16(10-7-15)14(2)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,19,21)/b11-8+.
What are the key properties of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 103945790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).