2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide

C13H26N2O4 — CID 106255019

IUPAC2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOCCC(C)(O)CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H26N2O4/c1-13(17,5-8-18-2)10-14-9-12(16)15-11-3-6-19-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyFGSBATHRPCMTMS-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.34
Rot. Bonds8

About 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 106255019) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID106255019
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOCCC(C)(O)CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H26N2O4/c1-13(17,5-8-18-2)10-14-9-12(16)15-11-3-6-19-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyFGSBATHRPCMTMS-UHFFFAOYSA-N
XLogP-0.34
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
N-cyclopentyl-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111256
N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291923
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
N-cyclopropyl-2-(2,2-dimethylpropylamino)acetamide
CID 61167227
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide (CID 106255019) is 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide is COCCC(C)(O)CNCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is FGSBATHRPCMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(17,5-8-18-2)10-14-9-12(16)15-11-3-6-19-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide?
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 106255019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).