N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide

C14H17N5O3 — CID 130318251

IUPACN-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
SMILESCc1cccc(-n2nnn(C)c2=O)c1CONC(=O)C1CC1
InChIInChI=1S/C14H17N5O3/c1-9-4-3-5-12(19-14(21)18(2)16-17-19)11(9)8-22-15-13(20)10-6-7-10/h3-5,10H,6-8H2,1-2H3,(H,15,20)
InChIKeyWRUUQYCZIOLSEP-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.23
Rot. Bonds5

About N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide

N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide (PubChem CID 130318251) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
PubChem CID130318251
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
SMILESCc1cccc(-n2nnn(C)c2=O)c1CONC(=O)C1CC1
InChIInChI=1S/C14H17N5O3/c1-9-4-3-5-12(19-14(21)18(2)16-17-19)11(9)8-22-15-13(20)10-6-7-10/h3-5,10H,6-8H2,1-2H3,(H,15,20)
InChIKeyWRUUQYCZIOLSEP-UHFFFAOYSA-N
XLogP0.23
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide?
The IUPAC name of N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide (CID 130318251) is N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide is Cc1cccc(-n2nnn(C)c2=O)c1CONC(=O)C1CC1.
What is the InChIKey of N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide?
The InChIKey is WRUUQYCZIOLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-4-3-5-12(19-14(21)18(2)16-17-19)11(9)8-22-15-13(20)10-6-7-10/h3-5,10H,6-8H2,1-2H3,(H,15,20).
What are the key properties of N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide?
N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide is sourced from PubChem (CID 130318251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).