N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide

C18H16N2O3 — CID 9410613

IUPACN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C1\CCc2ccccc2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(14-6-8-16-17(10-14)23-11-22-16)20-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-4,6,8,10H,5,7,9,11H2,(H,20,21)/b19-15+
InChIKeyUZCXDAVBCDWZEY-XDJHFCHBSA-N
MW308.34 g/mol
LogP2.69
Rot. Bonds2

About N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide

N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide (PubChem CID 9410613) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
PubChem CID9410613
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C1\CCc2ccccc2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(14-6-8-16-17(10-14)23-11-22-16)20-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-4,6,8,10H,5,7,9,11H2,(H,20,21)/b19-15+
InChIKeyUZCXDAVBCDWZEY-XDJHFCHBSA-N
XLogP2.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.69
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

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
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-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
CID 9016757
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7303308
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233501
N-[(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 4845190
N-[(E)-[(2S)-2-phenylpropylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7494635
N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-1,3-benzodioxole-5-carboxamide
CID 42912492

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide (CID 9410613) is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide is O=C(N/N=C1\CCc2ccccc2C1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UZCXDAVBCDWZEY-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(14-6-8-16-17(10-14)23-11-22-16)20-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-4,6,8,10H,5,7,9,11H2,(H,20,21)/b19-15+.
What are the key properties of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide?
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 9410613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).