2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate

C23H27N3O2 — CID 19833970

IUPAC2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
SMILES[H]/N=C(\OCCON=C1CCCCC1)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C23H27N3O2/c24-23(27-14-15-28-25-20-10-2-1-3-11-20)26-16-18-8-4-6-12-21(18)22-13-7-5-9-19(22)17-26/h4-9,12-13,24H,1-3,10-11,14-17H2/b24-23-
InChIKeyBTPAOVZNBBZSFQ-VHXPQNKSSA-N
MW377.49 g/mol
LogP4.96
Rot. Bonds4

About 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate

2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate (PubChem CID 19833970) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate.

Molecular Properties

Compound Name2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
PubChem CID19833970
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate
SMILES[H]/N=C(\OCCON=C1CCCCC1)N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C23H27N3O2/c24-23(27-14-15-28-25-20-10-2-1-3-11-20)26-16-18-8-4-6-12-21(18)22-13-7-5-9-19(22)17-26/h4-9,12-13,24H,1-3,10-11,14-17H2/b24-23-
InChIKeyBTPAOVZNBBZSFQ-VHXPQNKSSA-N
XLogP4.96
TPSA57.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate?
The IUPAC name of 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate (CID 19833970) is 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate.
What is the SMILES notation for 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate?
The canonical SMILES for 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate is [H]/N=C(\OCCON=C1CCCCC1)N1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate?
The InChIKey is BTPAOVZNBBZSFQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O2/c24-23(27-14-15-28-25-20-10-2-1-3-11-20)26-16-18-8-4-6-12-21(18)22-13-7-5-9-19(22)17-26/h4-9,12-13,24H,1-3,10-11,14-17H2/b24-23-.
What are the key properties of 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate?
2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate has a molecular weight of 377.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylideneamino)oxyethyl 5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate is sourced from PubChem (CID 19833970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).