N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C21H26N6O — CID 8524147

IUPACN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N6O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-23-19(28)13-27-25-20(24-26-27)18-5-3-2-4-6-18/h2-6,15-17H,7-13H2,1H3,(H,23,28)/b22-14-
InChIKeyYKCSSPNZZNQVMU-HMAPJEAMSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 8524147) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID8524147
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N6O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-23-19(28)13-27-25-20(24-26-27)18-5-3-2-4-6-18/h2-6,15-17H,7-13H2,1H3,(H,23,28)/b22-14-
InChIKeyYKCSSPNZZNQVMU-HMAPJEAMSA-N
XLogP3.05
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4810008
N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7335558
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 679124
1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 7489431

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 8524147) is N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is C/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is YKCSSPNZZNQVMU-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-23-19(28)13-27-25-20(24-26-27)18-5-3-2-4-6-18/h2-6,15-17H,7-13H2,1H3,(H,23,28)/b22-14-.
What are the key properties of N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 8524147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).