2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide

C26H24N2O — CID 56697504

IUPAC2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccccc1)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H24N2O/c1-17(27-28-25(29)15-18-9-3-2-4-10-18)23-16-24-19-11-5-7-13-21(19)26(23)22-14-8-6-12-20(22)24/h2-14,23-24,26H,15-16H2,1H3,(H,28,29)/b27-17+
InChIKeySHLXNNYRIRELIX-WPWMEQJKSA-N
MW380.49 g/mol
LogP5.02
Rot. Bonds4

About 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide

2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide (PubChem CID 56697504) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide
PubChem CID56697504
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccccc1)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H24N2O/c1-17(27-28-25(29)15-18-9-3-2-4-10-18)23-16-24-19-11-5-7-13-21(19)26(23)22-14-8-6-12-20(22)24/h2-14,23-24,26H,15-16H2,1H3,(H,28,29)/b27-17+
InChIKeySHLXNNYRIRELIX-WPWMEQJKSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.02
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

2-fluoro-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]benzamide
CID 56697640
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
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 129440050
(15S)-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 802639
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide (CID 56697504) is 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccccc1)C1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide?
The InChIKey is SHLXNNYRIRELIX-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H24N2O/c1-17(27-28-25(29)15-18-9-3-2-4-10-18)23-16-24-19-11-5-7-13-21(19)26(23)22-14-8-6-12-20(22)24/h2-14,23-24,26H,15-16H2,1H3,(H,28,29)/b27-17+.
What are the key properties of 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide?
2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide has a molecular weight of 380.49 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide is sourced from PubChem (CID 56697504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).