2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide

C19H28N2O3 — CID 51260808

IUPAC2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
SMILESCCN(CC(=O)NC1CCCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H28N2O3/c1-2-21(12-15-9-10-17-18(11-15)24-14-23-17)13-19(22)20-16-7-5-3-4-6-8-16/h9-11,16H,2-8,12-14H2,1H3,(H,20,22)
InChIKeyOWOMFSKAOGBQHA-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.08
Rot. Bonds6

About 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide (PubChem CID 51260808) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
PubChem CID51260808
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
SMILESCCN(CC(=O)NC1CCCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H28N2O3/c1-2-21(12-15-9-10-17-18(11-15)24-14-23-17)13-19(22)20-16-7-5-3-4-6-8-16/h9-11,16H,2-8,12-14H2,1H3,(H,20,22)
InChIKeyOWOMFSKAOGBQHA-UHFFFAOYSA-N
XLogP3.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113151341
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
N-[2-[1,3-benzodioxol-5-ylmethyl-[2-(cyclohexylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 651716
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-cyclohexylacetamide
CID 21367958
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-ethylpiperidin-1-yl)ethanone
CID 86911654
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 1153874
1,3-benzodioxol-5-ylmethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium
CID 7236826
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
CID 18144830
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide (CID 51260808) is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide is CCN(CC(=O)NC1CCCCCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide?
The InChIKey is OWOMFSKAOGBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-21(12-15-9-10-17-18(11-15)24-14-23-17)13-19(22)20-16-7-5-3-4-6-8-16/h9-11,16H,2-8,12-14H2,1H3,(H,20,22).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide?
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide has a molecular weight of 332.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide is sourced from PubChem (CID 51260808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).