2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide

C22H23N5O3 — CID 175641641

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(13-15-6-11-19-20(12-15)30-14-29-19)23-17-7-9-18(10-8-17)27-25-22(24-26-27)16-4-2-1-3-5-16/h1-6,11-12,17-18H,7-10,13-14H2,(H,23,28)
InChIKeyKSSCCRNXJSQCNY-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.91
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide (PubChem CID 175641641) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
PubChem CID175641641
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(13-15-6-11-19-20(12-15)30-14-29-19)23-17-7-9-18(10-8-17)27-25-22(24-26-27)16-4-2-1-3-5-16/h1-6,11-12,17-18H,7-10,13-14H2,(H,23,28)
InChIKeyKSSCCRNXJSQCNY-UHFFFAOYSA-N
XLogP2.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide 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-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylacetamide
CID 45144945
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3179721
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
1,3-benzodioxol-5-yl-[4-[5-(4-fluorophenyl)tetrazol-2-yl]piperidin-1-yl]methanone
CID 16668514
2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 2680807
2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
CID 175641941
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrazol-1-ylcyclohexyl)urea
CID 126851744

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide (CID 175641641) is 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)NC1CCC(n2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
The InChIKey is KSSCCRNXJSQCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(13-15-6-11-19-20(12-15)30-14-29-19)23-17-7-9-18(10-8-17)27-25-22(24-26-27)16-4-2-1-3-5-16/h1-6,11-12,17-18H,7-10,13-14H2,(H,23,28).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 175641641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).