N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

C14H17NO4 — CID 110745419

IUPACN-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4/c1-15(8-11-3-2-6-17-11)14(16)10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyBDHRZRZDHFAVAS-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110745419) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID110745419
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H17NO4/c1-15(8-11-3-2-6-17-11)14(16)10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKeyBDHRZRZDHFAVAS-UHFFFAOYSA-N
XLogP1.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55360775

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 110745419) is N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is CN(CC1CCCO1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is BDHRZRZDHFAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(8-11-3-2-6-17-11)14(16)10-4-5-12-13(7-10)19-9-18-12/h4-5,7,11H,2-3,6,8-9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide?
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110745419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).