N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide

C12H15NO4 — CID 110699403

IUPACN-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide
SMILESCOCCCNC(=O)c1cccc2c1OCO2
InChIInChI=1S/C12H15NO4/c1-15-7-3-6-13-12(14)9-4-2-5-10-11(9)17-8-16-10/h2,4-5H,3,6-8H2,1H3,(H,13,14)
InChIKeyVZENLJFZXWPSMS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.18
Rot. Bonds5

About N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide

N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide (PubChem CID 110699403) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide
PubChem CID110699403
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide
SMILESCOCCCNC(=O)c1cccc2c1OCO2
InChIInChI=1S/C12H15NO4/c1-15-7-3-6-13-12(14)9-4-2-5-10-11(9)17-8-16-10/h2,4-5H,3,6-8H2,1H3,(H,13,14)
InChIKeyVZENLJFZXWPSMS-UHFFFAOYSA-N
XLogP1.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1,3-benzodioxole-4-carboxamide
CID 55855159
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3-imidazol-1-ylpropyl)-1,3-benzodioxole-4-carboxamide
CID 22355406
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-(6-iodohexyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 107848624
N-(4-chloropentyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114147402
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114298845
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80711178
N-[2-(4-chlorophenyl)-2-methylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55902915
2-(1,3-benzodioxole-4-carbonylamino)-2-methylpropanoic acid
CID 110834795
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 55835583

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide (CID 110699403) is N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide is COCCCNC(=O)c1cccc2c1OCO2.
What is the InChIKey of N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide?
The InChIKey is VZENLJFZXWPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-7-3-6-13-12(14)9-4-2-5-10-11(9)17-8-16-10/h2,4-5H,3,6-8H2,1H3,(H,13,14).
What are the key properties of N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide?
N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 110699403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).