2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide

C20H22N2O — CID 6525291

IUPAC2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O/c1-14-11-12-17(15(2)13-14)20(23)22-21-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,22,23)/b21-19-
InChIKeyIOLZUSGEGLZNQY-VZCXRCSSSA-N
MW306.41 g/mol
LogP4.16
Rot. Bonds2

About 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide

2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide (PubChem CID 6525291) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
PubChem CID6525291
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)c1
InChIInChI=1S/C20H22N2O/c1-14-11-12-17(15(2)13-14)20(23)22-21-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,22,23)/b21-19-
InChIKeyIOLZUSGEGLZNQY-VZCXRCSSSA-N
XLogP4.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2,5-dimethyl-1-phenyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]pyrrole-3-carboxamide
CID 6529503
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
1-(2,5-dimethylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 6246151
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 7858354
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide (CID 6525291) is 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide is Cc1ccc(C(=O)N/N=C2/CCCCc3ccccc32)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide?
The InChIKey is IOLZUSGEGLZNQY-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-11-12-17(15(2)13-14)20(23)22-21-19-10-6-4-8-16-7-3-5-9-18(16)19/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,22,23)/b21-19-.
What are the key properties of 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide?
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide has a molecular weight of 306.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide is sourced from PubChem (CID 6525291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).