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

C19H22N2O3 — CID 46478529

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1C
InChIInChI=1S/C19H22N2O3/c1-3-21(16-7-5-4-6-14(16)2)11-10-20-19(22)15-8-9-17-18(12-15)24-13-23-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMRJPPZSOBUSDNR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.98
Rot. Bonds6

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

N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46478529) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID46478529
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1C
InChIInChI=1S/C19H22N2O3/c1-3-21(16-7-5-4-6-14(16)2)11-10-20-19(22)15-8-9-17-18(12-15)24-13-23-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMRJPPZSOBUSDNR-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.98
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
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113068867
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 55717378
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 46478628
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113063804
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide (CID 46478529) is N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide is CCN(CCNC(=O)c1ccc2c(c1)OCO2)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MRJPPZSOBUSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-21(16-7-5-4-6-14(16)2)11-10-20-19(22)15-8-9-17-18(12-15)24-13-23-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46478529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).