ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate

C18H19NO5 — CID 153328064

IUPACethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cc2cc3c(cc2O)OCCO3)cc1
InChIInChI=1S/C18H19NO5/c1-2-22-18(21)19-14-5-3-12(4-6-14)9-13-10-16-17(11-15(13)20)24-8-7-23-16/h3-6,10-11,20H,2,7-9H2,1H3,(H,19,21)
InChIKeyQPYZFTUPHCHTON-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.32
Rot. Bonds4

About ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate

ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate (PubChem CID 153328064) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate
PubChem CID153328064
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Nameethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cc2cc3c(cc2O)OCCO3)cc1
InChIInChI=1S/C18H19NO5/c1-2-22-18(21)19-14-5-3-12(4-6-14)9-13-10-16-17(11-15(13)20)24-8-7-23-16/h3-6,10-11,20H,2,7-9H2,1H3,(H,19,21)
InChIKeyQPYZFTUPHCHTON-UHFFFAOYSA-N
XLogP3.32
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 110778029
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
ethyl 2-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]acetate
CID 55012550
ethyl N-(4-benzyl-3-propylphenyl)carbamate
CID 159677631
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195
ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate (CID 153328064) is ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate is CCOC(=O)Nc1ccc(Cc2cc3c(cc2O)OCCO3)cc1.
What is the InChIKey of ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate?
The InChIKey is QPYZFTUPHCHTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-2-22-18(21)19-14-5-3-12(4-6-14)9-13-10-16-17(11-15(13)20)24-8-7-23-16/h3-6,10-11,20H,2,7-9H2,1H3,(H,19,21).
What are the key properties of ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate?
ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate has a molecular weight of 329.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 153328064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).