N-[1-(1-adamantyl)ethylideneamino]benzamide

C19H24N2O — CID 4099751

IUPACN-[1-(1-adamantyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O/c1-13(20-21-18(22)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16H,7-12H2,1H3,(H,21,22)
InChIKeyJIOHJYFXZZRNLE-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(1-adamantyl)ethylideneamino]benzamide

N-[1-(1-adamantyl)ethylideneamino]benzamide (PubChem CID 4099751) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethylideneamino]benzamide
PubChem CID4099751
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[1-(1-adamantyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N2O/c1-13(20-21-18(22)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16H,7-12H2,1H3,(H,21,22)
InChIKeyJIOHJYFXZZRNLE-UHFFFAOYSA-N
XLogP4.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.01
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]pyridine-2-carboxamide
CID 2852529
N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
CID 3983394
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
CID 95041471
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
3-[2-[1-(1-adamantyl)ethylidene]hydrazinyl]-3-oxopropanoic acid
CID 6611126
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 6148191
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide
CID 101138736
3-(1-adamantyl)-2-methyl-3-phenylprop-2-enoic acid
CID 68789532
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
CID 95068239

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(1-adamantyl)ethylideneamino]benzamide (CID 4099751) is N-[1-(1-adamantyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethylideneamino]benzamide?
The InChIKey is JIOHJYFXZZRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(20-21-18(22)17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,14-16H,7-12H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-adamantyl)ethylideneamino]benzamide?
N-[1-(1-adamantyl)ethylideneamino]benzamide has a molecular weight of 296.41 g/mol, XLogP of 4.01, 3 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]benzamide is sourced from PubChem (CID 4099751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).