(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide

C18H18N2O3 — CID 124843648

IUPAC(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
SMILESCn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccco3)ccc21
InChIInChI=1S/C18H18N2O3/c1-20-9-8-13-11-14(4-6-16(13)20)17(21)12-19-18(22)7-5-15-3-2-10-23-15/h2-11,17,21H,12H2,1H3,(H,19,22)/b7-5+/t17-/m0/s1
InChIKeyDZXWWZPDGSDBFI-UABRLCRWSA-N
MW310.35 g/mol
LogP2.63
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide (PubChem CID 124843648) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
PubChem CID124843648
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
SMILESCn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccco3)ccc21
InChIInChI=1S/C18H18N2O3/c1-20-9-8-13-11-14(4-6-16(13)20)17(21)12-19-18(22)7-5-15-3-2-10-23-15/h2-11,17,21H,12H2,1H3,(H,19,22)/b7-5+/t17-/m0/s1
InChIKeyDZXWWZPDGSDBFI-UABRLCRWSA-N
XLogP2.63
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.63
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-(1,3-benzodioxol-5-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
CID 124760155
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
CID 171139195
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide
CID 119104466
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide (CID 124843648) is (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide is Cn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccco3)ccc21.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide?
The InChIKey is DZXWWZPDGSDBFI-UABRLCRWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-9-8-13-11-14(4-6-16(13)20)17(21)12-19-18(22)7-5-15-3-2-10-23-15/h2-11,17,21H,12H2,1H3,(H,19,22)/b7-5+/t17-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 124843648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).