N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide

C14H27NO2 — CID 126515460

IUPACN-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide
SMILESCC(C)C(C)(C)N(C)C(=O)CC1CCOCC1
InChIInChI=1S/C14H27NO2/c1-11(2)14(3,4)15(5)13(16)10-12-6-8-17-9-7-12/h11-12H,6-10H2,1-5H3
InChIKeyIVCRCVPKSYAYPV-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds4

About N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide

N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide (PubChem CID 126515460) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide
PubChem CID126515460
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide
SMILESCC(C)C(C)(C)N(C)C(=O)CC1CCOCC1
InChIInChI=1S/C14H27NO2/c1-11(2)14(3,4)15(5)13(16)10-12-6-8-17-9-7-12/h11-12H,6-10H2,1-5H3
InChIKeyIVCRCVPKSYAYPV-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide (CID 126515460) is N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide is CC(C)C(C)(C)N(C)C(=O)CC1CCOCC1.
What is the InChIKey of N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide?
The InChIKey is IVCRCVPKSYAYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)14(3,4)15(5)13(16)10-12-6-8-17-9-7-12/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide?
N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide has a molecular weight of 241.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 126515460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).