4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride

C15H23ClN2O4 — CID 120587229

IUPAC4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-3-17(15(18)7-12(8-16)19-2)9-11-4-5-13-14(6-11)21-10-20-13;/h4-6,12H,3,7-10,16H2,1-2H3;1H
InChIKeyCISDUDCUZPVUBT-UHFFFAOYSA-N
MW330.81 g/mol
LogP1.55
Rot. Bonds7

About 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride (PubChem CID 120587229) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
PubChem CID120587229
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-3-17(15(18)7-12(8-16)19-2)9-11-4-5-13-14(6-11)21-10-20-13;/h4-6,12H,3,7-10,16H2,1-2H3;1H
InChIKeyCISDUDCUZPVUBT-UHFFFAOYSA-N
XLogP1.55
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120591840
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylacetamide
CID 8806585
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9202279
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dichlorophenyl)sulfanyl-N-ethylacetamide
CID 8842844
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
CID 103732398
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride (CID 120587229) is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride is CCN(Cc1ccc2c(c1)OCO2)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride?
The InChIKey is CISDUDCUZPVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-3-17(15(18)7-12(8-16)19-2)9-11-4-5-13-14(6-11)21-10-20-13;/h4-6,12H,3,7-10,16H2,1-2H3;1H.
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride?
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).