N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C13H18N2O3 — CID 103512634

IUPACN-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCNC(C)CNC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C13H18N2O3/c1-9(14-2)8-15-13(16)10-4-3-5-11-12(10)18-7-6-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyORDIUAYJIJFCPD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.80
Rot. Bonds4

About N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 103512634) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID103512634
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCNC(C)CNC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C13H18N2O3/c1-9(14-2)8-15-13(16)10-4-3-5-11-12(10)18-7-6-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyORDIUAYJIJFCPD-UHFFFAOYSA-N
XLogP0.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 115701654
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62666688
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62666900
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-[2-(2-methylpropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725764
2-[(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)methyl]pentanoic acid
CID 65218612
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114298845
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601
N-(2-bromo-2-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 113275942
N-[(2S)-1-aminopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120505422
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62087219

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 103512634) is N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CNC(C)CNC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is ORDIUAYJIJFCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(14-2)8-15-13(16)10-4-3-5-11-12(10)18-7-6-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 103512634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).