CID 142376401

C24H32N3O3 — CID 142376401

IUPAC—
SMILESCCOC(=O)CC(c1ccc(C)c(CC2=C[CH]2)c1)c1cc(N)c(N(C)N)c(OC)c1.[H][H]
InChIInChI=1S/C24H30N3O3.H2/c1-5-30-23(28)14-20(17-9-6-15(2)18(11-17)10-16-7-8-16)19-12-21(25)24(27(3)26)22(13-19)29-4;/h6-9,11-13,20H,5,10,14,25-26H2,1-4H3;1H
InChIKeyVBVOOOGHLGSNEA-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.91
Rot. Bonds9

About CID 142376401

CID 142376401 (PubChem CID 142376401) has the molecular formula C24H32N3O3 and a molecular weight of 410.54 g/mol.

Molecular Properties

Compound NameCID 142376401
PubChem CID142376401
Molecular FormulaC24H32N3O3
Molecular Weight410.54 g/mol
Exact Mass410.24
IUPAC Name—
SMILESCCOC(=O)CC(c1ccc(C)c(CC2=C[CH]2)c1)c1cc(N)c(N(C)N)c(OC)c1.[H][H]
InChIInChI=1S/C24H30N3O3.H2/c1-5-30-23(28)14-20(17-9-6-15(2)18(11-17)10-16-7-8-16)19-12-21(25)24(27(3)26)22(13-19)29-4;/h6-9,11-13,20H,5,10,14,25-26H2,1-4H3;1H
InChIKeyVBVOOOGHLGSNEA-UHFFFAOYSA-N
XLogP3.91
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142376401?
The IUPAC name of CID 142376401 (CID 142376401) is not available.
What is the SMILES notation for CID 142376401?
The canonical SMILES for CID 142376401 is CCOC(=O)CC(c1ccc(C)c(CC2=C[CH]2)c1)c1cc(N)c(N(C)N)c(OC)c1.[H][H].
What is the InChIKey of CID 142376401?
The InChIKey is VBVOOOGHLGSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N3O3.H2/c1-5-30-23(28)14-20(17-9-6-15(2)18(11-17)10-16-7-8-16)19-12-21(25)24(27(3)26)22(13-19)29-4;/h6-9,11-13,20H,5,10,14,25-26H2,1-4H3;1H.
What are the key properties of CID 142376401?
CID 142376401 has a molecular weight of 410.54 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142376401 is sourced from PubChem (CID 142376401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).