N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide

C13H26N2O2 — CID 54961583

IUPACN-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(3)15-13(16)8-14-7-12-5-4-6-17-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyYXXTVPQCUIDJND-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide

N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide (PubChem CID 54961583) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide
PubChem CID54961583
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide
SMILESCC(C)C(C)NC(=O)CNCC1CCCOC1
InChIInChI=1S/C13H26N2O2/c1-10(2)11(3)15-13(16)8-14-7-12-5-4-6-17-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyYXXTVPQCUIDJND-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489134
N-(3-methylbutan-2-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712550
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide (CID 54961583) is N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide is CC(C)C(C)NC(=O)CNCC1CCCOC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide?
The InChIKey is YXXTVPQCUIDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)11(3)15-13(16)8-14-7-12-5-4-6-17-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide?
N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(oxan-3-ylmethylamino)acetamide is sourced from PubChem (CID 54961583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).