3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide

C14H18N2O3 — CID 115161388

IUPAC3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O3/c1-16(14(17)9-6-10(15)7-9)11-2-3-12-13(8-11)19-5-4-18-12/h2-3,8-10H,4-7,15H2,1H3
InChIKeyJYFWJCVFSQZQDV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds2

About 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115161388) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
PubChem CID115161388
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18N2O3/c1-16(14(17)9-6-10(15)7-9)11-2-3-12-13(8-11)19-5-4-18-12/h2-3,8-10H,4-7,15H2,1H3
InChIKeyJYFWJCVFSQZQDV-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 167812638
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 115161397
(3-aminocyclopentyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116587227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 119688519
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide (CID 115161388) is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1CC(N)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is JYFWJCVFSQZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(14(17)9-6-10(15)7-9)11-2-3-12-13(8-11)19-5-4-18-12/h2-3,8-10H,4-7,15H2,1H3.
What are the key properties of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide?
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).