N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide

C24H28N2O — CID 4667670

IUPACN-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC(=NNC(=O)Cc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)25-26-23(27)12-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,17-19H,9-15H2,1H3,(H,26,27)
InChIKeyXSHSYBQDONLPRA-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.09
Rot. Bonds4

About N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide

N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 4667670) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID4667670
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC(=NNC(=O)Cc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)25-26-23(27)12-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,17-19H,9-15H2,1H3,(H,26,27)
InChIKeyXSHSYBQDONLPRA-UHFFFAOYSA-N
XLogP5.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.09
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-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
3-[2-[1-(1-adamantyl)ethylidene]hydrazinyl]-3-oxopropanoic acid
CID 6611126
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
CID 3402197
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55437775
N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
CID 3983394
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
CID 95041471
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide (CID 4667670) is N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide is CC(=NNC(=O)Cc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is XSHSYBQDONLPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)25-26-23(27)12-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,17-19H,9-15H2,1H3,(H,26,27).
What are the key properties of N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 360.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).