3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide

C16H22N2O3 — CID 60936891

IUPAC3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCNC1CC1
InChIInChI=1S/C16H22N2O3/c1-18(16(19)6-7-17-13-3-4-13)11-12-2-5-14-15(10-12)21-9-8-20-14/h2,5,10,13,17H,3-4,6-9,11H2,1H3
InChIKeyLPMGNZKWXBTLND-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds6

About 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide

3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide (PubChem CID 60936891) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
PubChem CID60936891
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCNC1CC1
InChIInChI=1S/C16H22N2O3/c1-18(16(19)6-7-17-13-3-4-13)11-12-2-5-14-15(10-12)21-9-8-20-14/h2,5,10,13,17H,3-4,6-9,11H2,1H3
InChIKeyLPMGNZKWXBTLND-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 61249787
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139146
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 78794285
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-methyl-2-sulfanylacetamide
CID 115167257
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide (CID 60936891) is 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide?
The InChIKey is LPMGNZKWXBTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(16(19)6-7-17-13-3-4-13)11-12-2-5-14-15(10-12)21-9-8-20-14/h2,5,10,13,17H,3-4,6-9,11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide?
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 60936891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).