(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide

C14H23N3O2 — CID 110002152

IUPAC(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
SMILESCCn1ccnc1/C=C/C(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H23N3O2/c1-4-14(3,8-11-18)16-13(19)7-6-12-15-9-10-17(12)5-2/h6-7,9-10,18H,4-5,8,11H2,1-3H3,(H,16,19)/b7-6+
InChIKeyCTYUHENHSZOPQB-VOTSOKGWSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds7

About (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide

(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide (PubChem CID 110002152) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
PubChem CID110002152
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
SMILESCCn1ccnc1/C=C/C(=O)NC(C)(CC)CCO
InChIInChI=1S/C14H23N3O2/c1-4-14(3,8-11-18)16-13(19)7-6-12-15-9-10-17(12)5-2/h6-7,9-10,18H,4-5,8,11H2,1-3H3,(H,16,19)/b7-6+
InChIKeyCTYUHENHSZOPQB-VOTSOKGWSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromothiophen-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 110002244
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 103945748
(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-(4-propan-2-ylphenyl)prop-2-enamide
CID 103945790
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 103945930
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946121
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 103946043
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 103946334

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide (CID 110002152) is (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide is CCn1ccnc1/C=C/C(=O)NC(C)(CC)CCO.
What is the InChIKey of (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide?
The InChIKey is CTYUHENHSZOPQB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(3,8-11-18)16-13(19)7-6-12-15-9-10-17(12)5-2/h6-7,9-10,18H,4-5,8,11H2,1-3H3,(H,16,19)/b7-6+.
What are the key properties of (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide?
(E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethylimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide is sourced from PubChem (CID 110002152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).