(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide

C20H21NO2 — CID 91631272

IUPAC(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCOC1(CNC(=O)/C=C/c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C20H21NO2/c1-23-20(13-17-9-5-6-10-18(17)14-20)15-21-19(22)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22)/b12-11+
InChIKeyYTPILFTWNXHXII-VAWYXSNFSA-N
MW307.39 g/mol
LogP3.00
Rot. Bonds5

About (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide

(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 91631272) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide
PubChem CID91631272
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCOC1(CNC(=O)/C=C/c2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C20H21NO2/c1-23-20(13-17-9-5-6-10-18(17)14-20)15-21-19(22)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22)/b12-11+
InChIKeyYTPILFTWNXHXII-VAWYXSNFSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide (CID 91631272) is (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide is COC1(CNC(=O)/C=C/c2ccccc2)Cc2ccccc2C1.
What is the InChIKey of (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is YTPILFTWNXHXII-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21NO2/c1-23-20(13-17-9-5-6-10-18(17)14-20)15-21-19(22)12-11-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H,21,22)/b12-11+.
What are the key properties of (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide?
(E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 91631272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).