2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C11H21N3O4 — CID 176888944

IUPAC2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21N3O4/c1-4-12-9(15)5-13-10(16)6-14-11(17)18-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyRCWKIFGRUGIFSD-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.38
Rot. Bonds7

About 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 176888944) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID176888944
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21N3O4/c1-4-12-9(15)5-13-10(16)6-14-11(17)18-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyRCWKIFGRUGIFSD-UHFFFAOYSA-N
XLogP-0.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 176888944) is 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is CCNC(=O)CNC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is RCWKIFGRUGIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-12-9(15)5-13-10(16)6-14-11(17)18-7-8(2)3/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 259.31 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 176888944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).