CID 144882870

C19H27N2O2 — CID 144882870

IUPAC—
SMILES[CH2]C/C(=C(/C)C(=O)C1=CC1)N1CCC2(CCC(NC)CC2)C1=O
InChIInChI=1S/C19H27N2O2/c1-4-16(13(2)17(22)14-5-6-14)21-12-11-19(18(21)23)9-7-15(20-3)8-10-19/h5,15,20H,1,4,6-12H2,2-3H3/b16-13+
InChIKeyRCFNEHAPXSIRIG-DTQAZKPQSA-N
MW315.44 g/mol
LogP2.76
Rot. Bonds5

About CID 144882870

CID 144882870 (PubChem CID 144882870) has the molecular formula C19H27N2O2 and a molecular weight of 315.44 g/mol.

Molecular Properties

Compound NameCID 144882870
PubChem CID144882870
Molecular FormulaC19H27N2O2
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name—
SMILES[CH2]C/C(=C(/C)C(=O)C1=CC1)N1CCC2(CCC(NC)CC2)C1=O
InChIInChI=1S/C19H27N2O2/c1-4-16(13(2)17(22)14-5-6-14)21-12-11-19(18(21)23)9-7-15(20-3)8-10-19/h5,15,20H,1,4,6-12H2,2-3H3/b16-13+
InChIKeyRCFNEHAPXSIRIG-DTQAZKPQSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 144882870 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 144882870?
The IUPAC name of CID 144882870 (CID 144882870) is not available.
What is the SMILES notation for CID 144882870?
The canonical SMILES for CID 144882870 is [CH2]C/C(=C(/C)C(=O)C1=CC1)N1CCC2(CCC(NC)CC2)C1=O.
What is the InChIKey of CID 144882870?
The InChIKey is RCFNEHAPXSIRIG-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H27N2O2/c1-4-16(13(2)17(22)14-5-6-14)21-12-11-19(18(21)23)9-7-15(20-3)8-10-19/h5,15,20H,1,4,6-12H2,2-3H3/b16-13+.
What are the key properties of CID 144882870?
CID 144882870 has a molecular weight of 315.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144882870 is sourced from PubChem (CID 144882870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).