CID 144774625

C22H39NO3 — CID 144774625

IUPAC—
SMILESCC.CCNCCO.O=C1C[C@@H]2CCC3(CC3)C3CCC4(CC4)C3[C@H]2O1
InChIInChI=1S/C16H22O2.C4H11NO.C2H6/c17-12-9-10-1-3-15(5-6-15)11-2-4-16(7-8-16)13(11)14(10)18-12;1-2-5-3-4-6;1-2/h10-11,13-14H,1-9H2;5-6H,2-4H2,1H3;1-2H3/t10-,11?,13?,14-;;/m0../s1
InChIKeyMXBBYAUGLPHKRZ-ZGSRKHPGSA-N
MW365.56 g/mol
LogP3.91
Rot. Bonds3

About CID 144774625

CID 144774625 (PubChem CID 144774625) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol.

Molecular Properties

Compound NameCID 144774625
PubChem CID144774625
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name—
SMILESCC.CCNCCO.O=C1C[C@@H]2CCC3(CC3)C3CCC4(CC4)C3[C@H]2O1
InChIInChI=1S/C16H22O2.C4H11NO.C2H6/c17-12-9-10-1-3-15(5-6-15)11-2-4-16(7-8-16)13(11)14(10)18-12;1-2-5-3-4-6;1-2/h10-11,13-14H,1-9H2;5-6H,2-4H2,1H3;1-2H3/t10-,11?,13?,14-;;/m0../s1
InChIKeyMXBBYAUGLPHKRZ-ZGSRKHPGSA-N
XLogP3.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 144774625 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 CID 144774625?
The IUPAC name of CID 144774625 (CID 144774625) is not available.
What is the SMILES notation for CID 144774625?
The canonical SMILES for CID 144774625 is CC.CCNCCO.O=C1C[C@@H]2CCC3(CC3)C3CCC4(CC4)C3[C@H]2O1.
What is the InChIKey of CID 144774625?
The InChIKey is MXBBYAUGLPHKRZ-ZGSRKHPGSA-N. The full InChI is InChI=1S/C16H22O2.C4H11NO.C2H6/c17-12-9-10-1-3-15(5-6-15)11-2-4-16(7-8-16)13(11)14(10)18-12;1-2-5-3-4-6;1-2/h10-11,13-14H,1-9H2;5-6H,2-4H2,1H3;1-2H3/t10-,11?,13?,14-;;/m0../s1.
What are the key properties of CID 144774625?
CID 144774625 has a molecular weight of 365.56 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144774625 is sourced from PubChem (CID 144774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).