(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide

C17H23NO3 — CID 166443374

IUPAC(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
SMILESC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-12(17(19)18-14-5-3-2-4-6-14)9-13-7-8-15-16(10-13)21-11-20-15/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGRIOWELRBFBFNM-LBPRGKRZSA-N
MW289.38 g/mol
LogP3.04
Rot. Bonds4

About (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide

(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide (PubChem CID 166443374) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
PubChem CID166443374
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
SMILESC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO3/c1-12(17(19)18-14-5-3-2-4-6-14)9-13-7-8-15-16(10-13)21-11-20-15/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyGRIOWELRBFBFNM-LBPRGKRZSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-ylmethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium
CID 7236826
1-[(2R)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-cyclohexylurea
CID 92865398
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
2-(1,3-benzodioxol-5-yloxy)-N-cyclohexylpropanamide
CID 45147830
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexylacetamide
CID 17405781
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
CID 170759950
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809795
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 4109390
2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612817

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide (CID 166443374) is (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide is C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide?
The InChIKey is GRIOWELRBFBFNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(17(19)18-14-5-3-2-4-6-14)9-13-7-8-15-16(10-13)21-11-20-15/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide?
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 166443374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).