N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide

C20H28N2O3 — CID 119773858

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c23-20(12-21-11-15-6-7-15)22(17-4-2-1-3-5-17)13-16-8-9-18-19(10-16)25-14-24-18/h8-10,15,17,21H,1-7,11-14H2
InChIKeyKSBPCNZJLBYSTF-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.08
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide (PubChem CID 119773858) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
PubChem CID119773858
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c23-20(12-21-11-15-6-7-15)22(17-4-2-1-3-5-17)13-16-8-9-18-19(10-16)25-14-24-18/h8-10,15,17,21H,1-7,11-14H2
InChIKeyKSBPCNZJLBYSTF-UHFFFAOYSA-N
XLogP3.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
CID 119773859
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119782947
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
CID 119938723
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide (CID 119773858) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide?
The InChIKey is KSBPCNZJLBYSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-20(12-21-11-15-6-7-15)22(17-4-2-1-3-5-17)13-16-8-9-18-19(10-16)25-14-24-18/h8-10,15,17,21H,1-7,11-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide has a molecular weight of 344.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119773858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).