3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide

C11H22N2O4 — CID 177357974

IUPAC3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCNCCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C11H22N2O4/c1-12-4-3-11(15)13-5-8-17-10-9-16-7-2-6-14/h6,12H,2-5,7-10H2,1H3,(H,13,15)
InChIKeyDQQCSRWMROWRMN-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.67
Rot. Bonds12

About 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide

3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide (PubChem CID 177357974) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
PubChem CID177357974
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCNCCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C11H22N2O4/c1-12-4-3-11(15)13-5-8-17-10-9-16-7-2-6-14/h6,12H,2-5,7-10H2,1H3,(H,13,15)
InChIKeyDQQCSRWMROWRMN-UHFFFAOYSA-N
XLogP-0.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide (CID 177357974) is 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide is CNCCC(=O)NCCOCCOCCC=O.
What is the InChIKey of 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide?
The InChIKey is DQQCSRWMROWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-12-4-3-11(15)13-5-8-17-10-9-16-7-2-6-14/h6,12H,2-5,7-10H2,1H3,(H,13,15).
What are the key properties of 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide?
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of -0.67, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 177357974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).