N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide

C20H24N2O3 — CID 109022997

IUPACN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-2-22(15-16-6-4-3-5-7-16)20(23)10-11-21-17-8-9-18-19(14-17)25-13-12-24-18/h3-9,14,21H,2,10-13,15H2,1H3
InChIKeyLCICCSSDRFAUBC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.31
Rot. Bonds7

About N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide

N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide (PubChem CID 109022997) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
PubChem CID109022997
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-2-22(15-16-6-4-3-5-7-16)20(23)10-11-21-17-8-9-18-19(14-17)25-13-12-24-18/h3-9,14,21H,2,10-13,15H2,1H3
InChIKeyLCICCSSDRFAUBC-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
3-(1,3-benzodioxol-5-ylamino)-N-benzyl-N-phenylpropanamide
CID 109041955
N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
CID 109023018
1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
N-benzyl-N-ethyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770157
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
N'-benzyl-N'-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 43814830
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 55334437
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
4-chloro-N-[3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-3-oxopropyl]benzamide
CID 18160684

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide (CID 109022997) is N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCNc1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide?
The InChIKey is LCICCSSDRFAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-22(15-16-6-4-3-5-7-16)20(23)10-11-21-17-8-9-18-19(14-17)25-13-12-24-18/h3-9,14,21H,2,10-13,15H2,1H3.
What are the key properties of N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide?
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide is sourced from PubChem (CID 109022997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).