N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide

C17H18N2O3 — CID 25395257

IUPACN-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-19(14-5-3-2-4-6-14)10-9-18-17(20)13-7-8-15-16(11-13)22-12-21-15/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyPPICAPULJWSPHT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 25395257) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID25395257
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-19(14-5-3-2-4-6-14)10-9-18-17(20)13-7-8-15-16(11-13)22-12-21-15/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyPPICAPULJWSPHT-UHFFFAOYSA-N
XLogP2.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113066849
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-[4-[benzyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982312
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113063804
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide (CID 25395257) is N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide is CN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PPICAPULJWSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19(14-5-3-2-4-6-14)10-9-18-17(20)13-7-8-15-16(11-13)22-12-21-15/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 25395257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).