1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate

C12H23N3O6 — CID 20588173

IUPAC1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCC(=O)NCC(CNC(C)=O)OC(=O)NCCOCCO
InChIInChI=1S/C12H23N3O6/c1-9(17)14-7-11(8-15-10(2)18)21-12(19)13-3-5-20-6-4-16/h11,16H,3-8H2,1-2H3,(H,13,19)(H,14,17)(H,15,18)
InChIKeyBPBQIACHYLMSDP-UHFFFAOYSA-N
MW305.33 g/mol
LogP-1.64
Rot. Bonds10

About 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate

1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 20588173) has the molecular formula C12H23N3O6 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Name1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID20588173
Molecular FormulaC12H23N3O6
Molecular Weight305.33 g/mol
Exact Mass305.16
IUPAC Name1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCC(=O)NCC(CNC(C)=O)OC(=O)NCCOCCO
InChIInChI=1S/C12H23N3O6/c1-9(17)14-7-11(8-15-10(2)18)21-12(19)13-3-5-20-6-4-16/h11,16H,3-8H2,1-2H3,(H,13,19)(H,14,17)(H,15,18)
InChIKeyBPBQIACHYLMSDP-UHFFFAOYSA-N
XLogP-1.64
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 20588173) is 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate is CC(=O)NCC(CNC(C)=O)OC(=O)NCCOCCO.
What is the InChIKey of 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is BPBQIACHYLMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O6/c1-9(17)14-7-11(8-15-10(2)18)21-12(19)13-3-5-20-6-4-16/h11,16H,3-8H2,1-2H3,(H,13,19)(H,14,17)(H,15,18).
What are the key properties of 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of -1.64, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetamidopropan-2-yl N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 20588173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).