N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C19H18N6O — CID 7929871

IUPACN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C19H18N6O/c26-18(13-25-23-19(22-24-25)15-8-2-1-3-9-15)21-20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11H,6,10,12-13H2,(H,21,26)/b20-17-
InChIKeyPFWHSTXGHPXTEY-JZJYNLBNSA-N
MW346.39 g/mol
LogP2.20
Rot. Bonds4

About N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7929871) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7929871
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C19H18N6O/c26-18(13-25-23-19(22-24-25)15-8-2-1-3-9-15)21-20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11H,6,10,12-13H2,(H,21,26)/b20-17-
InChIKeyPFWHSTXGHPXTEY-JZJYNLBNSA-N
XLogP2.20
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.20
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-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6153371
N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929889
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524141
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
CID 6286899
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879349
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8552837
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 7929871) is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/CCCc2ccccc21.
What is the InChIKey of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is PFWHSTXGHPXTEY-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H18N6O/c26-18(13-25-23-19(22-24-25)15-8-2-1-3-9-15)21-20-17-12-6-10-14-7-4-5-11-16(14)17/h1-5,7-9,11H,6,10,12-13H2,(H,21,26)/b20-17-.
What are the key properties of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7929871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).