3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide

C11H23N3O4 — CID 138457298

IUPAC3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOCCCNC(=O)CN
InChIInChI=1S/C11H23N3O4/c1-13-10(15)3-6-18-8-7-17-5-2-4-14-11(16)9-12/h2-9,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyPFBWOXBTHDNXOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.38
Rot. Bonds11

About 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide

3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide (PubChem CID 138457298) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide
PubChem CID138457298
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOCCCNC(=O)CN
InChIInChI=1S/C11H23N3O4/c1-13-10(15)3-6-18-8-7-17-5-2-4-14-11(16)9-12/h2-9,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyPFBWOXBTHDNXOP-UHFFFAOYSA-N
XLogP-1.38
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide (CID 138457298) is 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide is CNC(=O)CCOCCOCCCNC(=O)CN.
What is the InChIKey of 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide?
The InChIKey is PFBWOXBTHDNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-13-10(15)3-6-18-8-7-17-5-2-4-14-11(16)9-12/h2-9,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide?
3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of -1.38, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 138457298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).