methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate

C8H17N3O3 — CID 121420093

IUPACmethyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCNCCN(C)C(=O)CNC(=O)OC
InChIInChI=1S/C8H17N3O3/c1-9-4-5-11(2)7(12)6-10-8(13)14-3/h9H,4-6H2,1-3H3,(H,10,13)
InChIKeyYCNUMKXCNPSHKG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.98
Rot. Bonds5

About methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate

methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate (PubChem CID 121420093) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
PubChem CID121420093
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Namemethyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCNCCN(C)C(=O)CNC(=O)OC
InChIInChI=1S/C8H17N3O3/c1-9-4-5-11(2)7(12)6-10-8(13)14-3/h9H,4-6H2,1-3H3,(H,10,13)
InChIKeyYCNUMKXCNPSHKG-UHFFFAOYSA-N
XLogP-0.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate (CID 121420093) is methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate is CNCCN(C)C(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is YCNUMKXCNPSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-9-4-5-11(2)7(12)6-10-8(13)14-3/h9H,4-6H2,1-3H3,(H,10,13).
What are the key properties of methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 203.24 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 121420093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).