N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide

C18H23NO3 — CID 4160049

IUPACN-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(O)COc1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H23NO3/c1-13(2)19(14(3)20)11-16(21)12-22-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,21H,11-12H2,1-3H3
InChIKeyPNPHZOGJOCBAEQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.84
Rot. Bonds6

About N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide

N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide (PubChem CID 4160049) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide
PubChem CID4160049
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(O)COc1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H23NO3/c1-13(2)19(14(3)20)11-16(21)12-22-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,21H,11-12H2,1-3H3
InChIKeyPNPHZOGJOCBAEQ-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide (CID 4160049) is N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide is CC(=O)N(CC(O)COc1cccc2ccccc12)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide?
The InChIKey is PNPHZOGJOCBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)19(14(3)20)11-16(21)12-22-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,13,16,21H,11-12H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide?
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide has a molecular weight of 301.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 4160049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).