butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

C17H32N2O5 — CID 91718578

IUPACbutyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C17H32N2O5/c1-5-9-12-24-16(21)14(11-7-3)18-15(20)13(10-6-2)19-17(22)23-8-4/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyPUTNHRGLTVZFPP-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.53
Rot. Bonds12

About butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91718578) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Namebutyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91718578
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Namebutyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C17H32N2O5/c1-5-9-12-24-16(21)14(11-7-3)18-15(20)13(10-6-2)19-17(22)23-8-4/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyPUTNHRGLTVZFPP-UHFFFAOYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate 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 butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (CID 91718578) is butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is CCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC.
What is the InChIKey of butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is PUTNHRGLTVZFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-5-9-12-24-16(21)14(11-7-3)18-15(20)13(10-6-2)19-17(22)23-8-4/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22).
What are the key properties of butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 344.45 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91718578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).