N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide

C11H23N3O2 — CID 20336852

IUPACN-[3-[3-acetamidopropyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCCNC(=O)C
InChIInChI=1S/C11H23N3O2/c1-10(15)12-6-4-8-14(3)9-5-7-13-11(2)16/h4-9H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyLBXNUASZYCUIPL-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.40
Rot. Bonds8

About N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide

N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide (PubChem CID 20336852) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[3-[3-acetamidopropyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide
PubChem CID20336852
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[3-[3-acetamidopropyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCCNC(=O)C
InChIInChI=1S/C11H23N3O2/c1-10(15)12-6-4-8-14(3)9-5-7-13-11(2)16/h4-9H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyLBXNUASZYCUIPL-UHFFFAOYSA-N
XLogP-0.40
TPSA61.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity197

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N1-Acetylspermine
CID 916
Hexamethylene Bisacetamide
CID 3616
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N1,N12-Diacetylspermine
CID 132680
N-(5-(Acetylamino)pentylene)acetamide
CID 100784
Acetamidopropyl trimonium chloride
CID 57483053
N(1)-acetylsperminium(3+)
CID 25201943
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N8-Acetylspermidine dihydrochloride
CID 214847
Acetamide, N-(2-diethylaminoethyl)-
CID 44428
N-(3-aminopropyl)acetamide
CID 13793967

Frequently Asked Questions

What is the IUPAC name of N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide?
The IUPAC name of N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide (CID 20336852) is N-[3-[3-acetamidopropyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide?
The canonical SMILES for N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide is CC(=O)NCCCN(C)CCCNC(=O)C.
What is the InChIKey of N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide?
The InChIKey is LBXNUASZYCUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(15)12-6-4-8-14(3)9-5-7-13-11(2)16/h4-9H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide?
N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide has a molecular weight of 229.32 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide is sourced from PubChem (CID 20336852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).