(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide

C19H19NO2 — CID 2673471

IUPAC(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO2/c1-22-18-8-3-2-5-15(18)10-12-19(21)20-17-11-9-14-6-4-7-16(14)13-17/h2-3,5,8-13H,4,6-7H2,1H3,(H,20,21)/b12-10+
InChIKeyCSIZPHWKBOOAAC-ZRDIBKRKSA-N
MW293.37 g/mol
LogP3.84
Rot. Bonds4

About (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2673471) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2673471
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO2/c1-22-18-8-3-2-5-15(18)10-12-19(21)20-17-11-9-14-6-4-7-16(14)13-17/h2-3,5,8-13H,4,6-7H2,1H3,(H,20,21)/b12-10+
InChIKeyCSIZPHWKBOOAAC-ZRDIBKRKSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-tert-Butylphenyl)-N-(4-methoxyphenyl)acrylamide
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CID 44264904
N-(3,4-dimethylphenyl)-3-(2-methylphenoxy)propanamide
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1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea
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1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 17282409
N-(2,3-Dihydro-1H-inden-5-YL)-N'-(4-ethoxyphenyl)urea
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CID 790454

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide (CID 2673471) is (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is CSIZPHWKBOOAAC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-18-8-3-2-5-15(18)10-12-19(21)20-17-11-9-14-6-4-7-16(14)13-17/h2-3,5,8-13H,4,6-7H2,1H3,(H,20,21)/b12-10+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).