N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide

C15H20N6O — CID 8524115

IUPACN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H20N6O/c1-4-11(2)12(3)16-17-14(22)10-21-19-15(18-20-21)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,22)/b16-12-/t11-/m0/s1
InChIKeyLVWCYFDJODVMSC-SPSOFYIISA-N
MW300.37 g/mol
LogP1.88
Rot. Bonds6

About N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 8524115) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID8524115
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC[C@H](C)/C(C)=N\NC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H20N6O/c1-4-11(2)12(3)16-17-14(22)10-21-19-15(18-20-21)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,22)/b16-12-/t11-/m0/s1
InChIKeyLVWCYFDJODVMSC-SPSOFYIISA-N
XLogP1.88
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.88
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

2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8524080
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
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-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-(benzhydrylideneamino)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 9355676
N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 120651901
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 679124
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 8524115) is N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is CC[C@H](C)/C(C)=N\NC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is LVWCYFDJODVMSC-SPSOFYIISA-N. The full InChI is InChI=1S/C15H20N6O/c1-4-11(2)12(3)16-17-14(22)10-21-19-15(18-20-21)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,22)/b16-12-/t11-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 8524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).