2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide

C12H15N5O2 — CID 30309509

IUPAC2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
SMILESCn1nnc(NC(=O)C(C)(C)Oc2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c1-12(2,19-9-7-5-4-6-8-9)10(18)13-11-14-16-17(3)15-11/h4-8H,1-3H3,(H,13,15,18)
InChIKeyBKWSVXPEASLKGW-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.01
Rot. Bonds4

About 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide

2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide (PubChem CID 30309509) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
PubChem CID30309509
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
SMILESCn1nnc(NC(=O)C(C)(C)Oc2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c1-12(2,19-9-7-5-4-6-8-9)10(18)13-11-14-16-17(3)15-11/h4-8H,1-3H3,(H,13,15,18)
InChIKeyBKWSVXPEASLKGW-UHFFFAOYSA-N
XLogP1.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide?
The IUPAC name of 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide (CID 30309509) is 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide.
What is the SMILES notation for 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide?
The canonical SMILES for 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide is Cn1nnc(NC(=O)C(C)(C)Oc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide?
The InChIKey is BKWSVXPEASLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-12(2,19-9-7-5-4-6-8-9)10(18)13-11-14-16-17(3)15-11/h4-8H,1-3H3,(H,13,15,18).
What are the key properties of 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide?
2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide has a molecular weight of 261.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide is sourced from PubChem (CID 30309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).