N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C14H28N2O4 — CID 103712765

IUPACN-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(5,19)7-8-20-6/h10,19H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyJYRKTZZAQFAOOX-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.44
Rot. Bonds7

About N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 103712765) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID103712765
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(5,19)7-8-20-6/h10,19H,7-9H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyJYRKTZZAQFAOOX-UHFFFAOYSA-N
XLogP0.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 103712765) is N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is COCCC(C)(O)CNC(=O)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is JYRKTZZAQFAOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-10(16-12(18)13(2,3)4)11(17)15-9-14(5,19)7-8-20-6/h10,19H,7-9H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).