(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide

C18H17NO3 — CID 5337464

IUPAC(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C18H17NO3/c20-18(11-10-14-6-2-1-3-7-14)19-12-15-13-21-16-8-4-5-9-17(16)22-15/h1-11,15H,12-13H2,(H,19,20)/b11-10+
InChIKeyINECWFPJWPZNLW-ZHACJKMWSA-N
MW295.34 g/mol
LogP2.66
Rot. Bonds4

About (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide

(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 5337464) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
PubChem CID5337464
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1COc2ccccc2O1
InChIInChI=1S/C18H17NO3/c20-18(11-10-14-6-2-1-3-7-14)19-12-15-13-21-16-8-4-5-9-17(16)22-15/h1-11,15H,12-13H2,(H,19,20)/b11-10+
InChIKeyINECWFPJWPZNLW-ZHACJKMWSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobut-2-enoic acid
CID 51680372
methyl 4-[(E)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-oxoprop-1-enyl]benzoate
CID 8872413
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)prop-2-enamide
CID 17416536
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7434232
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 131846680
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
CID 3145411
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 16563181
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)prop-2-enamide
CID 4785178
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-8-ylprop-2-enamide
CID 42937673
(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8004691
(E)-3-(2-aminopyrimidin-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]prop-2-enamide
CID 131915655
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide (CID 5337464) is (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC1COc2ccccc2O1.
What is the InChIKey of (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is INECWFPJWPZNLW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H17NO3/c20-18(11-10-14-6-2-1-3-7-14)19-12-15-13-21-16-8-4-5-9-17(16)22-15/h1-11,15H,12-13H2,(H,19,20)/b11-10+.
What are the key properties of (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide?
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5337464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).