2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide

C18H21NO3 — CID 138053647

IUPAC2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide
SMILESCCc1ccc2ccccc2c1CNC(=O)CC1OCCO1
InChIInChI=1S/C18H21NO3/c1-2-13-7-8-14-5-3-4-6-15(14)16(13)12-19-17(20)11-18-21-9-10-22-18/h3-8,18H,2,9-12H2,1H3,(H,19,20)
InChIKeyIOOSQJJTKZWUJD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.78
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide

2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide (PubChem CID 138053647) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide
PubChem CID138053647
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide
SMILESCCc1ccc2ccccc2c1CNC(=O)CC1OCCO1
InChIInChI=1S/C18H21NO3/c1-2-13-7-8-14-5-3-4-6-15(14)16(13)12-19-17(20)11-18-21-9-10-22-18/h3-8,18H,2,9-12H2,1H3,(H,19,20)
InChIKeyIOOSQJJTKZWUJD-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide (CID 138053647) is 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide is CCc1ccc2ccccc2c1CNC(=O)CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide?
The InChIKey is IOOSQJJTKZWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-13-7-8-14-5-3-4-6-15(14)16(13)12-19-17(20)11-18-21-9-10-22-18/h3-8,18H,2,9-12H2,1H3,(H,19,20).
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide?
2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-[(2-ethylnaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 138053647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).