N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide

C15H14N2O3 — CID 28894383

IUPACN-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)c1ccc(N)cc1
InChIInChI=1S/C15H14N2O3/c1-17(12-5-3-11(16)4-6-12)15(18)10-2-7-13-14(8-10)20-9-19-13/h2-8H,9,16H2,1H3
InChIKeyDOVHAEVOASAXRY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds2

About N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide

N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 28894383) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID28894383
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)c1ccc(N)cc1
InChIInChI=1S/C15H14N2O3/c1-17(12-5-3-11(16)4-6-12)15(18)10-2-7-13-14(8-10)20-9-19-13/h2-8H,9,16H2,1H3
InChIKeyDOVHAEVOASAXRY-UHFFFAOYSA-N
XLogP2.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1447082
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
4-amino-N'-[1-(1,3-benzodioxol-5-yl)ethenyl]benzohydrazide
CID 2642178
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99714193
N-[4-(1,3-benzodioxole-5-carbonyl)phenyl]-N-methylformamide
CID 43162298

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide (CID 28894383) is N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide is CN(C(=O)c1ccc2c(c1)OCO2)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is DOVHAEVOASAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(12-5-3-11(16)4-6-12)15(18)10-2-7-13-14(8-10)20-9-19-13/h2-8H,9,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 28894383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).