4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate

C15H28N2O5 — CID 10313681

IUPAC4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC(C)C)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C15H28N2O5/c1-9(2)16-15(20)17(10(3)4)12(8-13(18)21-7)14(19)22-11(5)6/h9-12H,8H2,1-7H3,(H,16,20)
InChIKeyUQOONVDFIHNNOQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.70
Rot. Bonds7

About 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate

4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate (PubChem CID 10313681) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate.

Molecular Properties

Compound Name4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
PubChem CID10313681
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC(C)C)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C15H28N2O5/c1-9(2)16-15(20)17(10(3)4)12(8-13(18)21-7)14(19)22-11(5)6/h9-12H,8H2,1-7H3,(H,16,20)
InChIKeyUQOONVDFIHNNOQ-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The IUPAC name of 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate (CID 10313681) is 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate.
What is the SMILES notation for 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The canonical SMILES for 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate is COC(=O)CC(C(=O)OC(C)C)N(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The InChIKey is UQOONVDFIHNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-9(2)16-15(20)17(10(3)4)12(8-13(18)21-7)14(19)22-11(5)6/h9-12H,8H2,1-7H3,(H,16,20).
What are the key properties of 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate has a molecular weight of 316.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate is sourced from PubChem (CID 10313681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).