N'-(3-acetamidopropyl)-N-butylpropanediamide

C12H23N3O3 — CID 59843703

IUPACN'-(3-acetamidopropyl)-N-butylpropanediamide
SMILESCCCCNC(=O)CC(=O)NCCCNC(C)=O
InChIInChI=1S/C12H23N3O3/c1-3-4-6-14-11(17)9-12(18)15-8-5-7-13-10(2)16/h3-9H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeySABZHEOMFVNQEC-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.06
Rot. Bonds9

About N'-(3-acetamidopropyl)-N-butylpropanediamide

N'-(3-acetamidopropyl)-N-butylpropanediamide (PubChem CID 59843703) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N'-(3-acetamidopropyl)-N-butylpropanediamide.

Molecular Properties

Compound NameN'-(3-acetamidopropyl)-N-butylpropanediamide
PubChem CID59843703
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN'-(3-acetamidopropyl)-N-butylpropanediamide
SMILESCCCCNC(=O)CC(=O)NCCCNC(C)=O
InChIInChI=1S/C12H23N3O3/c1-3-4-6-14-11(17)9-12(18)15-8-5-7-13-10(2)16/h3-9H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeySABZHEOMFVNQEC-UHFFFAOYSA-N
XLogP-0.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-acetamidopropyl)-N-butylpropanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-N'-pentylpropanediamide
CID 89202031
N-butylacetamide;molecular hydrogen
CID 142252069
5-acetamido-N-butylpentanamide
CID 123729472
N-butyl-3-oxobutanamide
CID 5161533
N-(3-acetamidopropyl)acetamide
CID 5147555
N-butylacetamide;propanoic acid
CID 87146552
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-(4-acetamidobutyl)butanamide
CID 110417477
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidopropyl)-N-butylpropanediamide?
The IUPAC name of N'-(3-acetamidopropyl)-N-butylpropanediamide (CID 59843703) is N'-(3-acetamidopropyl)-N-butylpropanediamide.
What is the SMILES notation for N'-(3-acetamidopropyl)-N-butylpropanediamide?
The canonical SMILES for N'-(3-acetamidopropyl)-N-butylpropanediamide is CCCCNC(=O)CC(=O)NCCCNC(C)=O.
What is the InChIKey of N'-(3-acetamidopropyl)-N-butylpropanediamide?
The InChIKey is SABZHEOMFVNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-4-6-14-11(17)9-12(18)15-8-5-7-13-10(2)16/h3-9H2,1-2H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of N'-(3-acetamidopropyl)-N-butylpropanediamide?
N'-(3-acetamidopropyl)-N-butylpropanediamide has a molecular weight of 257.33 g/mol, XLogP of -0.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidopropyl)-N-butylpropanediamide is sourced from PubChem (CID 59843703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).