methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate

C16H16N2O4 — CID 112989260

IUPACmethyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H16N2O4/c1-20-16(19)18-12-4-2-11(3-5-12)17-13-6-7-14-15(10-13)22-9-8-21-14/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyQADYQHWXQGJINO-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.38
Rot. Bonds3

About methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate

methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate (PubChem CID 112989260) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
PubChem CID112989260
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H16N2O4/c1-20-16(19)18-12-4-2-11(3-5-12)17-13-6-7-14-15(10-13)22-9-8-21-14/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyQADYQHWXQGJINO-UHFFFAOYSA-N
XLogP3.38
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)carbamate
CID 47132568
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931544
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate (CID 112989260) is methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate?
The InChIKey is QADYQHWXQGJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-20-16(19)18-12-4-2-11(3-5-12)17-13-6-7-14-15(10-13)22-9-8-21-14/h2-7,10,17H,8-9H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate?
methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate has a molecular weight of 300.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate is sourced from PubChem (CID 112989260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).