N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide

C23H27NO3 — CID 42723798

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C23H27NO3/c25-23(14-12-18-7-3-1-4-8-18)24(20-9-5-2-6-10-20)16-19-11-13-21-22(15-19)27-17-26-21/h1,3-4,7-8,11,13,15,20H,2,5-6,9-10,12,14,16-17H2
InChIKeyAWHUFEJXYCJHLT-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.71
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide (PubChem CID 42723798) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
PubChem CID42723798
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C23H27NO3/c25-23(14-12-18-7-3-1-4-8-18)24(20-9-5-2-6-10-20)16-19-11-13-21-22(15-19)27-17-26-21/h1,3-4,7-8,11,13,15,20H,2,5-6,9-10,12,14,16-17H2
InChIKeyAWHUFEJXYCJHLT-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide 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

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
CID 8748303
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
1-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 139519094
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
CID 119773859
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide (CID 42723798) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide is O=C(CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide?
The InChIKey is AWHUFEJXYCJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-23(14-12-18-7-3-1-4-8-18)24(20-9-5-2-6-10-20)16-19-11-13-21-22(15-19)27-17-26-21/h1,3-4,7-8,11,13,15,20H,2,5-6,9-10,12,14,16-17H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide has a molecular weight of 365.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide is sourced from PubChem (CID 42723798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).