N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide

C18H20N2O3 — CID 71903308

IUPACN-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=C1CC2CC1C1CCCC21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O3/c21-18(10-4-5-16-17(8-10)23-9-22-16)20-19-15-7-11-6-14(15)13-3-1-2-12(11)13/h4-5,8,11-14H,1-3,6-7,9H2,(H,20,21)
InChIKeyRPWFBEZENPCOCE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.96
Rot. Bonds2

About N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide

N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide (PubChem CID 71903308) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide
PubChem CID71903308
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=C1CC2CC1C1CCCC21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O3/c21-18(10-4-5-16-17(8-10)23-9-22-16)20-19-15-7-11-6-14(15)13-3-1-2-12(11)13/h4-5,8,11-14H,1-3,6-7,9H2,(H,20,21)
InChIKeyRPWFBEZENPCOCE-UHFFFAOYSA-N
XLogP2.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-8-tricyclo[5.2.1.02,6]decanylideneamino]thiourea
CID 18397667
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 9233201
N-[(E)-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 9233208
N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 98220984
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7303308
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233032
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9410613
N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7412982
N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 42912492
N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzodioxol-5-amine
CID 43503205
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431

Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide (CID 71903308) is N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide is O=C(NN=C1CC2CC1C1CCCC21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RPWFBEZENPCOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(10-4-5-16-17(8-10)23-9-22-16)20-19-15-7-11-6-14(15)13-3-1-2-12(11)13/h4-5,8,11-14H,1-3,6-7,9H2,(H,20,21).
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide?
N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanylideneamino)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71903308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).