6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H17NO3 — CID 117059836

IUPAC6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC=CCNC(=O)C1COc2cc(C)c(C)cc2O1
InChIInChI=1S/C14H17NO3/c1-4-5-15-14(16)13-8-17-11-6-9(2)10(3)7-12(11)18-13/h4,6-7,13H,1,5,8H2,2-3H3,(H,15,16)
InChIKeyARVDZISGGFGXEQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.75
Rot. Bonds3

About 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 117059836) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID117059836
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC=CCNC(=O)C1COc2cc(C)c(C)cc2O1
InChIInChI=1S/C14H17NO3/c1-4-5-15-14(16)13-8-17-11-6-9(2)10(3)7-12(11)18-13/h4,6-7,13H,1,5,8H2,2-3H3,(H,15,16)
InChIKeyARVDZISGGFGXEQ-UHFFFAOYSA-N
XLogP1.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
ethyl (3S)-6,7-dimethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 125479982
(2R)-7-methyl-4-(4-methylphenyl)sulfonyl-N-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080537
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39997055
methyl (E)-4-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl)amino]but-2-enoate
CID 146141922
(2S)-6-chloro-4-methylsulfonyl-N-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490125
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
(3S)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94633935
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
5-[[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 125149392

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 117059836) is 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C=CCNC(=O)C1COc2cc(C)c(C)cc2O1.
What is the InChIKey of 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ARVDZISGGFGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-5-15-14(16)13-8-17-11-6-9(2)10(3)7-12(11)18-13/h4,6-7,13H,1,5,8H2,2-3H3,(H,15,16).
What are the key properties of 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 117059836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).