4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide

C14H17N5O2 — CID 17177283

IUPAC4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-4-9-19-17-14(16-18-19)15-13(20)11-5-7-12(8-6-11)21-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,17,20)
InChIKeyXTXVOJXYPRKXEC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.90
Rot. Bonds6

About 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide

4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (PubChem CID 17177283) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
PubChem CID17177283
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C14H17N5O2/c1-4-9-19-17-14(16-18-19)15-13(20)11-5-7-12(8-6-11)21-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,17,20)
InChIKeyXTXVOJXYPRKXEC-UHFFFAOYSA-N
XLogP1.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177286
4-chloro-3-nitro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177304
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
1-(4-propan-2-yloxyphenyl)-2-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 118238777
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17027341
4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4952255
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 969050
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 9184933
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (CID 17177283) is 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is C=CCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The InChIKey is XTXVOJXYPRKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-4-9-19-17-14(16-18-19)15-13(20)11-5-7-12(8-6-11)21-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,17,20).
What are the key properties of 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17177283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).