5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide

C17H33N3O4 — CID 155744507

IUPAC5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide
SMILESCCC(=O)N(CC)CC(=O)NC(C)CCCC(=O)NCCC(C)O
InChIInChI=1S/C17H33N3O4/c1-5-17(24)20(6-2)12-16(23)19-13(3)8-7-9-15(22)18-11-10-14(4)21/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyHWTIFPVJOZOUTC-UHFFFAOYSA-N
MW343.47 g/mol
LogP0.81
Rot. Bonds12

About 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide

5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide (PubChem CID 155744507) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide.

Molecular Properties

Compound Name5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide
PubChem CID155744507
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Name5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide
SMILESCCC(=O)N(CC)CC(=O)NC(C)CCCC(=O)NCCC(C)O
InChIInChI=1S/C17H33N3O4/c1-5-17(24)20(6-2)12-16(23)19-13(3)8-7-9-15(22)18-11-10-14(4)21/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyHWTIFPVJOZOUTC-UHFFFAOYSA-N
XLogP0.81
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide 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 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide?
The IUPAC name of 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide (CID 155744507) is 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide.
What is the SMILES notation for 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide?
The canonical SMILES for 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide is CCC(=O)N(CC)CC(=O)NC(C)CCCC(=O)NCCC(C)O.
What is the InChIKey of 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide?
The InChIKey is HWTIFPVJOZOUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-5-17(24)20(6-2)12-16(23)19-13(3)8-7-9-15(22)18-11-10-14(4)21/h13-14,21H,5-12H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide?
5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide has a molecular weight of 343.47 g/mol, XLogP of 0.81, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[ethyl(propanoyl)amino]acetyl]amino]-N-(3-hydroxybutyl)hexanamide is sourced from PubChem (CID 155744507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).