2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate

C8H16N2O4 — CID 106918325

IUPAC2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
SMILESCNC(=O)CCN(C)C(=O)OCCO
InChIInChI=1S/C8H16N2O4/c1-9-7(12)3-4-10(2)8(13)14-6-5-11/h11H,3-6H2,1-2H3,(H,9,12)
InChIKeyALISRTBONKLFPK-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.82
Rot. Bonds5

About 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate

2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate (PubChem CID 106918325) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
PubChem CID106918325
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
SMILESCNC(=O)CCN(C)C(=O)OCCO
InChIInChI=1S/C8H16N2O4/c1-9-7(12)3-4-10(2)8(13)14-6-5-11/h11H,3-6H2,1-2H3,(H,9,12)
InChIKeyALISRTBONKLFPK-UHFFFAOYSA-N
XLogP-0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-hydroxyethoxycarbonyl(methyl)amino]butanoate
CID 79345501
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106915052
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
methyl N'-cyano-N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamimidothioate
CID 106915473
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
CID 118657519
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate (CID 106918325) is 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate is CNC(=O)CCN(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate?
The InChIKey is ALISRTBONKLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-9-7(12)3-4-10(2)8(13)14-6-5-11/h11H,3-6H2,1-2H3,(H,9,12).
What are the key properties of 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate?
2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 106918325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).