N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide

C23H32N2O — CID 6369862

IUPACN-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide
SMILESCC/C(=N/NC(=O)c1ccc(C(C)C)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O/c1-4-21(23-12-16-9-17(13-23)11-18(10-16)14-23)24-25-22(26)20-7-5-19(6-8-20)15(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H,25,26)/b24-21-
InChIKeyNQKVAPZSIWMWQM-FLFQWRMESA-N
MW352.52 g/mol
LogP5.52
Rot. Bonds5

About N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide

N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide (PubChem CID 6369862) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide
PubChem CID6369862
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide
SMILESCC/C(=N/NC(=O)c1ccc(C(C)C)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O/c1-4-21(23-12-16-9-17(13-23)11-18(10-16)14-23)24-25-22(26)20-7-5-19(6-8-20)15(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H,25,26)/b24-21-
InChIKeyNQKVAPZSIWMWQM-FLFQWRMESA-N
XLogP5.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.52
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'}

Analyze N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide (CID 6369862) is N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide is CC/C(=N/NC(=O)c1ccc(C(C)C)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide?
The InChIKey is NQKVAPZSIWMWQM-FLFQWRMESA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-21(23-12-16-9-17(13-23)11-18(10-16)14-23)24-25-22(26)20-7-5-19(6-8-20)15(2)3/h5-8,15-18H,4,9-14H2,1-3H3,(H,25,26)/b24-21-.
What are the key properties of N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide?
N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide has a molecular weight of 352.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide is sourced from PubChem (CID 6369862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).