N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide

C19H25N3O — CID 6920704

IUPACN-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide
SMILESC/C(=N\NC(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25N3O/c1-11(21-22-19(23)14-2-4-17(20)5-3-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18H,6-10,20H2,1H3,(H,22,23)/b21-11+
InChIKeyPRMAHAVEGRGOJQ-SRZZPIQSSA-N
MW311.43 g/mol
LogP3.45
Rot. Bonds3

About N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide

N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide (PubChem CID 6920704) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide
PubChem CID6920704
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide
SMILESC/C(=N\NC(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25N3O/c1-11(21-22-19(23)14-2-4-17(20)5-3-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18H,6-10,20H2,1H3,(H,22,23)/b21-11+
InChIKeyPRMAHAVEGRGOJQ-SRZZPIQSSA-N
XLogP3.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
N-[(E)-[4-(2-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-tert-butylbenzamide
CID 56696355
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-4-nitrobenzamide
CID 98743453
N-(2-adamantyl)-4-amino-N-methylbenzamide
CID 60945227
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide?
The IUPAC name of N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide (CID 6920704) is N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide.
What is the SMILES notation for N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide?
The canonical SMILES for N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide is C/C(=N\NC(=O)c1ccc(N)cc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide?
The InChIKey is PRMAHAVEGRGOJQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H25N3O/c1-11(21-22-19(23)14-2-4-17(20)5-3-14)18-15-7-12-6-13(9-15)10-16(18)8-12/h2-5,12-13,15-16,18H,6-10,20H2,1H3,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide?
N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide has a molecular weight of 311.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide is sourced from PubChem (CID 6920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).