6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide

C16H17N5O3 — CID 14256758

IUPAC6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2c(OC(C)C)c(C(=O)Nc3nn[nH]n3)ccc2c1
InChIInChI=1S/C16H17N5O3/c1-9(2)24-14-12-7-5-11(23-3)8-10(12)4-6-13(14)15(22)17-16-18-20-21-19-16/h4-9H,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyRFDDUHGTDXJHIY-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.40
Rot. Bonds5

About 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide

6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide (PubChem CID 14256758) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide
PubChem CID14256758
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2c(OC(C)C)c(C(=O)Nc3nn[nH]n3)ccc2c1
InChIInChI=1S/C16H17N5O3/c1-9(2)24-14-12-7-5-11(23-3)8-10(12)4-6-13(14)15(22)17-16-18-20-21-19-16/h4-9H,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyRFDDUHGTDXJHIY-UHFFFAOYSA-N
XLogP2.40
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide (CID 14256758) is 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide is COc1ccc2c(OC(C)C)c(C(=O)Nc3nn[nH]n3)ccc2c1.
What is the InChIKey of 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide?
The InChIKey is RFDDUHGTDXJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9(2)24-14-12-7-5-11(23-3)8-10(12)4-6-13(14)15(22)17-16-18-20-21-19-16/h4-9H,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide?
6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yloxy-N-(2H-tetrazol-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 14256758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).