(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide

C18H24N2O3 — CID 110002949

IUPAC(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-18(10-11-21,13-23-3)19-17(22)9-8-14-12-20(2)16-7-5-4-6-15(14)16/h4-9,12,21H,10-11,13H2,1-3H3,(H,19,22)/b9-8+
InChIKeyXLZBFDUCFDRUHC-CMDGGOBGSA-N
MW316.40 g/mol
LogP2.10
Rot. Bonds7

About (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide (PubChem CID 110002949) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
PubChem CID110002949
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-18(10-11-21,13-23-3)19-17(22)9-8-14-12-20(2)16-7-5-4-6-15(14)16/h4-9,12,21H,10-11,13H2,1-3H3,(H,19,22)/b9-8+
InChIKeyXLZBFDUCFDRUHC-CMDGGOBGSA-N
XLogP2.10
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.10
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)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
CID 110003116
(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 71863555
1-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 3666180
(Z)-1-(4-bromophenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 34882734
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040
(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
CID 97377835
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-indazol-1-ylacetamide
CID 110002753
N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 67697276

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide (CID 110002949) is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide is COCC(C)(CCO)NC(=O)/C=C/c1cn(C)c2ccccc12.
What is the InChIKey of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide?
The InChIKey is XLZBFDUCFDRUHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(10-11-21,13-23-3)19-17(22)9-8-14-12-20(2)16-7-5-4-6-15(14)16/h4-9,12,21H,10-11,13H2,1-3H3,(H,19,22)/b9-8+.
What are the key properties of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide?
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide is sourced from PubChem (CID 110002949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).