4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide

C22H26N2O3 — CID 119317902

IUPAC4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
SMILESNCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c23-13-16-6-9-18(10-7-16)22(25)24(19-4-2-1-3-5-19)14-17-8-11-20-21(12-17)27-15-26-20/h6-12,19H,1-5,13-15,23H2
InChIKeyZBQOFFZJYAVQMK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.85
Rot. Bonds5

About 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide

4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide (PubChem CID 119317902) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
PubChem CID119317902
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
SMILESNCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c23-13-16-6-9-18(10-7-16)22(25)24(19-4-2-1-3-5-19)14-17-8-11-20-21(12-17)27-15-26-20/h6-12,19H,1-5,13-15,23H2
InChIKeyZBQOFFZJYAVQMK-UHFFFAOYSA-N
XLogP3.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630863
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
CID 142934649
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 39911890

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide (CID 119317902) is 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide is NCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide?
The InChIKey is ZBQOFFZJYAVQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c23-13-16-6-9-18(10-7-16)22(25)24(19-4-2-1-3-5-19)14-17-8-11-20-21(12-17)27-15-26-20/h6-12,19H,1-5,13-15,23H2.
What are the key properties of 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide?
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide is sourced from PubChem (CID 119317902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).