3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide

C16H17NO3 — CID 115769327

IUPAC3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
SMILESCC1(NC(=O)c2cc3ccccc3cc2O)CCOC1
InChIInChI=1S/C16H17NO3/c1-16(6-7-20-10-16)17-15(19)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,19)
InChIKeyKLVBGIRZNFSTHJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds2

About 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide

3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide (PubChem CID 115769327) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
PubChem CID115769327
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
SMILESCC1(NC(=O)c2cc3ccccc3cc2O)CCOC1
InChIInChI=1S/C16H17NO3/c1-16(6-7-20-10-16)17-15(19)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,19)
InChIKeyKLVBGIRZNFSTHJ-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide (CID 115769327) is 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide is CC1(NC(=O)c2cc3ccccc3cc2O)CCOC1.
What is the InChIKey of 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide?
The InChIKey is KLVBGIRZNFSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(6-7-20-10-16)17-15(19)13-8-11-4-2-3-5-12(11)9-14(13)18/h2-5,8-9,18H,6-7,10H2,1H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 115769327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).