CID 43558561

C13H25N2O2 — CID 43558561

IUPAC—
SMILESCCOCCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C13H25N2O2/c1-2-17-10-4-9-15-13(16)7-6-12-5-3-8-14-11-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyADVWKGUYKRDJGE-UHFFFAOYSA-N
MW241.35 g/mol
LogP1.32
Rot. Bonds8

About CID 43558561

CID 43558561 (PubChem CID 43558561) has the molecular formula C13H25N2O2 and a molecular weight of 241.35 g/mol.

Molecular Properties

Compound NameCID 43558561
PubChem CID43558561
Molecular FormulaC13H25N2O2
Molecular Weight241.35 g/mol
Exact Mass241.19
IUPAC Name—
SMILESCCOCCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C13H25N2O2/c1-2-17-10-4-9-15-13(16)7-6-12-5-3-8-14-11-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyADVWKGUYKRDJGE-UHFFFAOYSA-N
XLogP1.32
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 43558595
CID 43558595
CID 43558685
CID 43558685
CID 43558701
CID 43558701
CID 43558668
CID 43558668
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706
CID 43558533
CID 43558533
CID 43558669
CID 43558669
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
CID 43558687
CID 43558687
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449

Frequently Asked Questions

What is the IUPAC name of CID 43558561?
The IUPAC name of CID 43558561 (CID 43558561) is not available.
What is the SMILES notation for CID 43558561?
The canonical SMILES for CID 43558561 is CCOCCCNC(=O)CCC1CCC[N]C1.
What is the InChIKey of CID 43558561?
The InChIKey is ADVWKGUYKRDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2O2/c1-2-17-10-4-9-15-13(16)7-6-12-5-3-8-14-11-12/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of CID 43558561?
CID 43558561 has a molecular weight of 241.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558561 is sourced from PubChem (CID 43558561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).