CID 43558668

C15H28N3O2 — CID 43558668

IUPAC—
SMILESO=C(CCC1CCC[N]C1)NCCCN1CCOCC1
InChIInChI=1S/C15H28N3O2/c19-15(5-4-14-3-1-6-16-13-14)17-7-2-8-18-9-11-20-12-10-18/h14H,1-13H2,(H,17,19)
InChIKeyWAOISRAORAPTBQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.62
Rot. Bonds7

About CID 43558668

CID 43558668 (PubChem CID 43558668) has the molecular formula C15H28N3O2 and a molecular weight of 282.41 g/mol.

Molecular Properties

Compound NameCID 43558668
PubChem CID43558668
Molecular FormulaC15H28N3O2
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name—
SMILESO=C(CCC1CCC[N]C1)NCCCN1CCOCC1
InChIInChI=1S/C15H28N3O2/c19-15(5-4-14-3-1-6-16-13-14)17-7-2-8-18-9-11-20-12-10-18/h14H,1-13H2,(H,17,19)
InChIKeyWAOISRAORAPTBQ-UHFFFAOYSA-N
XLogP0.62
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 43558668 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

CID 43558595
CID 43558595
CID 43558561
CID 43558561
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
CID 43558685
CID 43558685
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 51362759
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880

Frequently Asked Questions

What is the IUPAC name of CID 43558668?
The IUPAC name of CID 43558668 (CID 43558668) is not available.
What is the SMILES notation for CID 43558668?
The canonical SMILES for CID 43558668 is O=C(CCC1CCC[N]C1)NCCCN1CCOCC1.
What is the InChIKey of CID 43558668?
The InChIKey is WAOISRAORAPTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3O2/c19-15(5-4-14-3-1-6-16-13-14)17-7-2-8-18-9-11-20-12-10-18/h14H,1-13H2,(H,17,19).
What are the key properties of CID 43558668?
CID 43558668 has a molecular weight of 282.41 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558668 is sourced from PubChem (CID 43558668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).