N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide

C18H27NO3 — CID 75427596

IUPACN-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC1COC(=O)C1
InChIInChI=1S/C18H27NO3/c1-19(16(20)5-15-6-17(21)22-10-15)11-18-7-12-2-13(8-18)4-14(3-12)9-18/h12-15H,2-11H2,1H3
InChIKeyFRJUHETZANOYDI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.61
Rot. Bonds4

About N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide

N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide (PubChem CID 75427596) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide
PubChem CID75427596
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC1COC(=O)C1
InChIInChI=1S/C18H27NO3/c1-19(16(20)5-15-6-17(21)22-10-15)11-18-7-12-2-13(8-18)4-14(3-12)9-18/h12-15H,2-11H2,1H3
InChIKeyFRJUHETZANOYDI-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide (CID 75427596) is N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC1COC(=O)C1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
The InChIKey is FRJUHETZANOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-19(16(20)5-15-6-17(21)22-10-15)11-18-7-12-2-13(8-18)4-14(3-12)9-18/h12-15H,2-11H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide?
N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-2-(5-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 75427596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).