N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

C13H26N2O4 — CID 54993388

IUPACN-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)12(18)14-7-6-11(17)15(4)8-10(16)9-19-5/h10,16H,6-9H2,1-5H3,(H,14,18)
InChIKeyCYGVUBBLITXSMT-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.00
Rot. Bonds7

About N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 54993388) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID54993388
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O4/c1-13(2,3)12(18)14-7-6-11(17)15(4)8-10(16)9-19-5/h10,16H,6-9H2,1-5H3,(H,14,18)
InChIKeyCYGVUBBLITXSMT-UHFFFAOYSA-N
XLogP0.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 54993388) is N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is COCC(O)CN(C)C(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is CYGVUBBLITXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)12(18)14-7-6-11(17)15(4)8-10(16)9-19-5/h10,16H,6-9H2,1-5H3,(H,14,18).
What are the key properties of N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54993388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).