3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

C11H23N3O3 — CID 112739073

IUPAC3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C)CNC(=O)CNC(=O)CCOCCN
InChIInChI=1S/C11H23N3O3/c1-9(2)7-13-11(16)8-14-10(15)3-5-17-6-4-12/h9H,3-8,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVECTZIBMKLFUDT-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.76
Rot. Bonds9

About 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (PubChem CID 112739073) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
PubChem CID112739073
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C)CNC(=O)CNC(=O)CCOCCN
InChIInChI=1S/C11H23N3O3/c1-9(2)7-13-11(16)8-14-10(15)3-5-17-6-4-12/h9H,3-8,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVECTZIBMKLFUDT-UHFFFAOYSA-N
XLogP-0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane
CID 172598015
dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
CID 170612923
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (CID 112739073) is 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is CC(C)CNC(=O)CNC(=O)CCOCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The InChIKey is VECTZIBMKLFUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(2)7-13-11(16)8-14-10(15)3-5-17-6-4-12/h9H,3-8,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide has a molecular weight of 245.32 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 112739073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).