(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide

C13H19NO4 — CID 91649052

IUPAC(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NC(C)(CO)CO)o1
InChIInChI=1S/C13H19NO4/c1-3-10-4-5-11(18-10)6-7-12(17)14-13(2,8-15)9-16/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17)/b7-6+
InChIKeyHQACTHNWNASRPL-VOTSOKGWSA-N
MW253.30 g/mol
LogP0.71
Rot. Bonds6

About (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide

(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide (PubChem CID 91649052) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide
PubChem CID91649052
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NC(C)(CO)CO)o1
InChIInChI=1S/C13H19NO4/c1-3-10-4-5-11(18-10)6-7-12(17)14-13(2,8-15)9-16/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17)/b7-6+
InChIKeyHQACTHNWNASRPL-VOTSOKGWSA-N
XLogP0.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(E)-3-(5-ethylfuran-2-yl)prop-2-enoyl]amino]-3-hydroxy-2-methylpropyl] (E)-3-(5-ethylfuran-2-yl)prop-2-enoate
CID 91653641
methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 7710923
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 77046984
tert-butyl N-[3-(5-ethylfuran-2-yl)prop-2-enyl]carbamate
CID 169468895
(E)-3-(furan-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103945656
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 77046708
3-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046821
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77046875
3-(4-cyanophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046773
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
CID 55266499

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide (CID 91649052) is (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)NC(C)(CO)CO)o1.
What is the InChIKey of (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
The InChIKey is HQACTHNWNASRPL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10-4-5-11(18-10)6-7-12(17)14-13(2,8-15)9-16/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17)/b7-6+.
What are the key properties of (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide?
(E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 91649052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).