N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide

C23H28N2O — CID 6025045

IUPACN-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O/c1-17(7-5-6-10-18-8-3-2-4-9-18)24-25-22(26)23-14-19-11-20(15-23)13-21(12-19)16-23/h2-10,19-21H,11-16H2,1H3,(H,25,26)/b7-5+,10-6+,24-17-
InChIKeyXGDSEPBIGOPGPA-UJZYNYLJSA-N
MW348.49 g/mol
LogP4.96
Rot. Bonds5

About N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide

N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide (PubChem CID 6025045) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide
PubChem CID6025045
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O/c1-17(7-5-6-10-18-8-3-2-4-9-18)24-25-22(26)23-14-19-11-20(15-23)13-21(12-19)16-23/h2-10,19-21H,11-16H2,1H3,(H,25,26)/b7-5+,10-6+,24-17-
InChIKeyXGDSEPBIGOPGPA-UJZYNYLJSA-N
XLogP4.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.96
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-(1-adamantyl)-5-phenylpenta-2,4-dien-1-one
CID 20763924
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
6-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)pyridine-3-carboxamide
CID 3645060
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
CID 136776131
2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide
CID 71952028
N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide
CID 171980978
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 129439751
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide (CID 6025045) is N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide is CC(/C=C/C=C/c1ccccc1)=N/NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide?
The InChIKey is XGDSEPBIGOPGPA-UJZYNYLJSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(7-5-6-10-18-8-3-2-4-9-18)24-25-22(26)23-14-19-11-20(15-23)13-21(12-19)16-23/h2-10,19-21H,11-16H2,1H3,(H,25,26)/b7-5+,10-6+,24-17-.
What are the key properties of N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide?
N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide is sourced from PubChem (CID 6025045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).