[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate

C13H24N2O7 — CID 162417920

IUPAC[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
SMILESCOCC(CNC(=O)NCC(COC)OC(C)=O)OC(C)=O
InChIInChI=1S/C13H24N2O7/c1-9(16)21-11(7-19-3)5-14-13(18)15-6-12(8-20-4)22-10(2)17/h11-12H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyAMXXBNVQYBEMKW-UHFFFAOYSA-N
MW320.34 g/mol
LogP-0.56
Rot. Bonds10

About [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate

[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate (PubChem CID 162417920) has the molecular formula C13H24N2O7 and a molecular weight of 320.34 g/mol. Its IUPAC name is [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
PubChem CID162417920
Molecular FormulaC13H24N2O7
Molecular Weight320.34 g/mol
Exact Mass320.16
IUPAC Name[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
SMILESCOCC(CNC(=O)NCC(COC)OC(C)=O)OC(C)=O
InChIInChI=1S/C13H24N2O7/c1-9(16)21-11(7-19-3)5-14-13(18)15-6-12(8-20-4)22-10(2)17/h11-12H,5-8H2,1-4H3,(H2,14,15,18)
InChIKeyAMXXBNVQYBEMKW-UHFFFAOYSA-N
XLogP-0.56
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-{[(S)-1,4-dioxan-2-yl]methyl}-3-ethyl-1-methylurea
CID 97041017
1-[2-Fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propyl]-3-methylurea
CID 166118481
Urea, N-acetoxypropyl-N'-propyl-
CID 537211
1-Propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea
CID 22889505
2-(3-Oxobutylcarbamoylamino)ethyl acetate
CID 22895689
2-(Propylcarbamoylamino)ethyl acetate
CID 22895699
Ethyl 2-(propylcarbamoylamino)acetate
CID 43385070
2-(Propylcarbamoylamino)ethyl propanoate
CID 54150970
2-(2-Acetyloxyethylcarbamoylamino)ethyl acetate
CID 57572535
2-[2-(Methylcarbamoylamino)ethoxy]ethyl acetate
CID 58511837
[butylcarbamoyl(1,4-dioxan-2-ylmethyl)amino] N-butylcarbamate
CID 88501401
[3-(Oxiran-2-ylmethylcarbamoylamino)-2-propanoyloxypropyl] propanoate
CID 89092189

Frequently Asked Questions

What is the IUPAC name of [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate?
The IUPAC name of [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate (CID 162417920) is [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate.
What is the SMILES notation for [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate?
The canonical SMILES for [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate is COCC(CNC(=O)NCC(COC)OC(C)=O)OC(C)=O.
What is the InChIKey of [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate?
The InChIKey is AMXXBNVQYBEMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O7/c1-9(16)21-11(7-19-3)5-14-13(18)15-6-12(8-20-4)22-10(2)17/h11-12H,5-8H2,1-4H3,(H2,14,15,18).
What are the key properties of [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate?
[1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate has a molecular weight of 320.34 g/mol, XLogP of -0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate is sourced from PubChem (CID 162417920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).