3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide

C12H25N3O3 — CID 112739075

IUPAC3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC(=O)CCOCCN
InChIInChI=1S/C12H25N3O3/c1-10(2)9-15-11(16)3-6-14-12(17)4-7-18-8-5-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXLZVSKQGYSNXQP-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.37
Rot. Bonds10

About 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide

3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide (PubChem CID 112739075) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
PubChem CID112739075
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNC(=O)CCOCCN
InChIInChI=1S/C12H25N3O3/c1-10(2)9-15-11(16)3-6-14-12(17)4-7-18-8-5-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXLZVSKQGYSNXQP-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.37
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-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
dimethyl-[2-[2-[3-(2-methylpropylamino)-3-oxopropoxy]ethoxy]ethyl]azanium
CID 170612923
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide (CID 112739075) is 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNC(=O)CCOCCN.
What is the InChIKey of 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is XLZVSKQGYSNXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-10(2)9-15-11(16)3-6-14-12(17)4-7-18-8-5-13/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide?
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.37, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 112739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).