N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide

C17H33N3O3 — CID 91221490

IUPACN-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide
SMILESCCCCC(CNCC(=O)NCC)NCCCC(C=O)CC=O
InChIInChI=1S/C17H33N3O3/c1-3-5-8-16(12-18-13-17(23)19-4-2)20-10-6-7-15(14-22)9-11-21/h11,14-16,18,20H,3-10,12-13H2,1-2H3,(H,19,23)
InChIKeyQDBBVCRYVZKZLX-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.04
Rot. Bonds16

About N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide

N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide (PubChem CID 91221490) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide
PubChem CID91221490
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC NameN-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide
SMILESCCCCC(CNCC(=O)NCC)NCCCC(C=O)CC=O
InChIInChI=1S/C17H33N3O3/c1-3-5-8-16(12-18-13-17(23)19-4-2)20-10-6-7-15(14-22)9-11-21/h11,14-16,18,20H,3-10,12-13H2,1-2H3,(H,19,23)
InChIKeyQDBBVCRYVZKZLX-UHFFFAOYSA-N
XLogP1.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide?
The IUPAC name of N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide (CID 91221490) is N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide?
The canonical SMILES for N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide is CCCCC(CNCC(=O)NCC)NCCCC(C=O)CC=O.
What is the InChIKey of N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide?
The InChIKey is QDBBVCRYVZKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-3-5-8-16(12-18-13-17(23)19-4-2)20-10-6-7-15(14-22)9-11-21/h11,14-16,18,20H,3-10,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide?
N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide has a molecular weight of 327.47 g/mol, XLogP of 1.04, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(4-formyl-6-oxohexyl)amino]hexylamino]acetamide is sourced from PubChem (CID 91221490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).