N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide

C20H27N3O — CID 9071087

IUPACN-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(N)cc1
InChIInChI=1S/C20H27N3O/c1-13(22-23-19(24)17-2-4-18(21)5-3-17)9-20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,14-16H,6-12,21H2,1H3,(H,23,24)/b22-13-
InChIKeyLARUWTOSJZXBKT-XKZIYDEJSA-N
MW325.46 g/mol
LogP3.98
Rot. Bonds4

About N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide

N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide (PubChem CID 9071087) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
PubChem CID9071087
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
SMILESC/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(N)cc1
InChIInChI=1S/C20H27N3O/c1-13(22-23-19(24)17-2-4-18(21)5-3-17)9-20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,14-16H,6-12,21H2,1H3,(H,23,24)/b22-13-
InChIKeyLARUWTOSJZXBKT-XKZIYDEJSA-N
XLogP3.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.98
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'}

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Related Compounds

4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CID 18274046
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
N-[(E)-1-(2-adamantyl)ethylideneamino]-4-aminobenzamide
CID 6920704
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-fluorobenzamide
CID 3108550
N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 84867892
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-acetamido-N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4534624
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
N-(1-adamantylcarbamoyl)-4-aminobenzamide
CID 108896053
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 5044458
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide (CID 9071087) is N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide is C/C(CC12CC3CC(CC(C3)C1)C2)=N/NC(=O)c1ccc(N)cc1.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide?
The InChIKey is LARUWTOSJZXBKT-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(22-23-19(24)17-2-4-18(21)5-3-17)9-20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,14-16H,6-12,21H2,1H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide?
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide is sourced from PubChem (CID 9071087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).