CID 58197899

C22H29N3O3 — CID 58197899

IUPAC—
SMILESCOC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)17-13-15(6-5-14-3-4-14)7-8-18(17)28-21(22)11-9-16(27-2)10-12-21/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H2,23,24)
InChIKeyZMLOUJZIHIICJY-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.73
Rot. Bonds4

About CID 58197899

CID 58197899 (PubChem CID 58197899) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol.

Molecular Properties

Compound NameCID 58197899
PubChem CID58197899
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name—
SMILESCOC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)17-13-15(6-5-14-3-4-14)7-8-18(17)28-21(22)11-9-16(27-2)10-12-21/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H2,23,24)
InChIKeyZMLOUJZIHIICJY-UHFFFAOYSA-N
XLogP2.73
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197899?
The IUPAC name of CID 58197899 (CID 58197899) is not available.
What is the SMILES notation for CID 58197899?
The canonical SMILES for CID 58197899 is COC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197899?
The InChIKey is ZMLOUJZIHIICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-25-19(26)22(24-20(25)23)17-13-15(6-5-14-3-4-14)7-8-18(17)28-21(22)11-9-16(27-2)10-12-21/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H2,23,24).
What are the key properties of CID 58197899?
CID 58197899 has a molecular weight of 383.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197899 is sourced from PubChem (CID 58197899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).