N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

C13H26N2O4 — CID 103712642

IUPACN-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-12(2,3)11(17)14-8-10(16)15-9-13(4,18)6-7-19-5/h18H,6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyDWAHMYVSDYRLSV-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.05
Rot. Bonds7

About N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 103712642) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID103712642
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-12(2,3)11(17)14-8-10(16)15-9-13(4,18)6-7-19-5/h18H,6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyDWAHMYVSDYRLSV-UHFFFAOYSA-N
XLogP0.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 103712642) is N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is COCCC(C)(O)CNC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is DWAHMYVSDYRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-12(2,3)11(17)14-8-10(16)15-9-13(4,18)6-7-19-5/h18H,6-9H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103712642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).