2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide

C13H26N2O2 — CID 78949570

IUPAC2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
SMILESCN(CC1CCCOC1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(16)15(4)9-11-6-5-7-17-10-11/h11,14H,5-10H2,1-4H3
InChIKeyWQSHVBHVNWRYRM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds4

About 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide

2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide (PubChem CID 78949570) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
PubChem CID78949570
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
SMILESCN(CC1CCCOC1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(16)15(4)9-11-6-5-7-17-10-11/h11,14H,5-10H2,1-4H3
InChIKeyWQSHVBHVNWRYRM-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide (CID 78949570) is 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide is CN(CC1CCCOC1)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is WQSHVBHVNWRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)14-8-12(16)15(4)9-11-6-5-7-17-10-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 78949570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).