N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide

C14H17N5O2 — CID 114469543

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H17N5O2/c1-10(2)9-21-7-6-15-14(20)12-5-3-4-11(8-12)13-16-18-19-17-13/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H,16,17,18,19)
InChIKeyUDBHTXQCXJRSNI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 114469543) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
PubChem CID114469543
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H17N5O2/c1-10(2)9-21-7-6-15-14(20)12-5-3-4-11(8-12)13-16-18-19-17-13/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H,16,17,18,19)
InChIKeyUDBHTXQCXJRSNI-UHFFFAOYSA-N
XLogP1.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide (CID 114469543) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide is C=C(C)COCCNC(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UDBHTXQCXJRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10(2)9-21-7-6-15-14(20)12-5-3-4-11(8-12)13-16-18-19-17-13/h3-5,8H,1,6-7,9H2,2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 114469543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).