N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide

C18H17NO5 — CID 110794338

IUPACN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc2c(cc1CNC(=O)c1ccc3c(c1)OCO3)OCCO2
InChIInChI=1S/C18H17NO5/c1-11-6-15-17(22-5-4-21-15)8-13(11)9-19-18(20)12-2-3-14-16(7-12)24-10-23-14/h2-3,6-8H,4-5,9-10H2,1H3,(H,19,20)
InChIKeyUWQPMRTWVCIXGK-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.42
Rot. Bonds3

About N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110794338) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110794338
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc2c(cc1CNC(=O)c1ccc3c(c1)OCO3)OCCO2
InChIInChI=1S/C18H17NO5/c1-11-6-15-17(22-5-4-21-15)8-13(11)9-19-18(20)12-2-3-14-16(7-12)24-10-23-14/h2-3,6-8H,4-5,9-10H2,1H3,(H,19,20)
InChIKeyUWQPMRTWVCIXGK-UHFFFAOYSA-N
XLogP2.42
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-[(2,5-dimethoxy-4-methylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794272
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110642046
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794166
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110794338) is N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cc1cc2c(cc1CNC(=O)c1ccc3c(c1)OCO3)OCCO2.
What is the InChIKey of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UWQPMRTWVCIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-6-15-17(22-5-4-21-15)8-13(11)9-19-18(20)12-2-3-14-16(7-12)24-10-23-14/h2-3,6-8H,4-5,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).