N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide

C18H17NO3 — CID 71782562

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
SMILESCC(O)(CNC(=O)c1cccc2ccccc12)c1ccco1
InChIInChI=1S/C18H17NO3/c1-18(21,16-10-5-11-22-16)12-19-17(20)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,21H,12H2,1H3,(H,19,20)
InChIKeyQDEYCPQPNPUZIB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide (PubChem CID 71782562) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
PubChem CID71782562
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
SMILESCC(O)(CNC(=O)c1cccc2ccccc12)c1ccco1
InChIInChI=1S/C18H17NO3/c1-18(21,16-10-5-11-22-16)12-19-17(20)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,21H,12H2,1H3,(H,19,20)
InChIKeyQDEYCPQPNPUZIB-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide (CID 71782562) is N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide is CC(O)(CNC(=O)c1cccc2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide?
The InChIKey is QDEYCPQPNPUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(21,16-10-5-11-22-16)12-19-17(20)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,21H,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 71782562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).