(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide

C19H18ClNO4 — CID 56532422

IUPAC(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)NCc1cccc2c1OCCO2
InChIInChI=1S/C19H18ClNO4/c1-23-16-7-6-15(20)11-13(16)5-8-18(22)21-12-14-3-2-4-17-19(14)25-10-9-24-17/h2-8,11H,9-10,12H2,1H3,(H,21,22)/b8-5+
InChIKeyOZZPGHHUZIZUTC-VMPITWQZSA-N
MW359.81 g/mol
LogP3.45
Rot. Bonds5

About (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide

(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide (PubChem CID 56532422) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
PubChem CID56532422
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)NCc1cccc2c1OCCO2
InChIInChI=1S/C19H18ClNO4/c1-23-16-7-6-15(20)11-13(16)5-8-18(22)21-12-14-3-2-4-17-19(14)25-10-9-24-17/h2-8,11H,9-10,12H2,1H3,(H,21,22)/b8-5+
InChIKeyOZZPGHHUZIZUTC-VMPITWQZSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
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-(2,3-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
CID 56579910
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042
(E)-N-[2-(carbamoylamino)ethyl]-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 75534745
(E)-3-(5-chloro-2-methoxyphenyl)-N-[(4-cyanophenyl)methyl]prop-2-enamide
CID 60531459
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide
CID 99996164
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(E)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 17171618
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 56580103
3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
CID 55961666

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide (CID 56532422) is (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide is COc1ccc(Cl)cc1/C=C/C(=O)NCc1cccc2c1OCCO2.
What is the InChIKey of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide?
The InChIKey is OZZPGHHUZIZUTC-VMPITWQZSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-23-16-7-6-15(20)11-13(16)5-8-18(22)21-12-14-3-2-4-17-19(14)25-10-9-24-17/h2-8,11H,9-10,12H2,1H3,(H,21,22)/b8-5+.
What are the key properties of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide?
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide has a molecular weight of 359.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 56532422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).