N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide

C17H17NO4 — CID 26897998

IUPACN-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-9-20-14-6-4-3-5-13(14)18-17(19)12-7-8-15-16(10-12)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19)
InChIKeyUAUSTHQTDQLFPX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.46
Rot. Bonds5

About N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide

N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 26897998) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID26897998
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-9-20-14-6-4-3-5-13(14)18-17(19)12-7-8-15-16(10-12)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19)
InChIKeyUAUSTHQTDQLFPX-UHFFFAOYSA-N
XLogP3.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30236034
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109245401
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5416925

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 26897998) is N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide is CCCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is UAUSTHQTDQLFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-9-20-14-6-4-3-5-13(14)18-17(19)12-7-8-15-16(10-12)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19).
What are the key properties of N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 26897998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).