CID 70216327

C22H30N2O3 — CID 70216327

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21NC(=O)NC1=O
InChIInChI=1S/C22H30N2O3/c1-14(2)4-5-15-6-7-16-13-21(10-8-17(27-3)9-11-21)22(18(16)12-15)19(25)23-20(26)24-22/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyUWGUAZUJHHKIOO-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.44
Rot. Bonds4

About CID 70216327

CID 70216327 (PubChem CID 70216327) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol.

Molecular Properties

Compound NameCID 70216327
PubChem CID70216327
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21NC(=O)NC1=O
InChIInChI=1S/C22H30N2O3/c1-14(2)4-5-15-6-7-16-13-21(10-8-17(27-3)9-11-21)22(18(16)12-15)19(25)23-20(26)24-22/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyUWGUAZUJHHKIOO-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70216327?
The IUPAC name of CID 70216327 (CID 70216327) is not available.
What is the SMILES notation for CID 70216327?
The canonical SMILES for CID 70216327 is COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1C21NC(=O)NC1=O.
What is the InChIKey of CID 70216327?
The InChIKey is UWGUAZUJHHKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(2)4-5-15-6-7-16-13-21(10-8-17(27-3)9-11-21)22(18(16)12-15)19(25)23-20(26)24-22/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of CID 70216327?
CID 70216327 has a molecular weight of 370.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70216327 is sourced from PubChem (CID 70216327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).