CID 44818981

C18H23N3O2 — CID 44818981

IUPAC—
SMILESCc1ccc2c(c1)C1(C(=O)N2)N(C)CCC12CN(C)CCC2=O
InChIInChI=1S/C18H23N3O2/c1-12-4-5-14-13(10-12)18(16(23)19-14)17(7-9-21(18)3)11-20(2)8-6-15(17)22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyISADLTMTHUPHAK-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.37
Rot. Bonds

About CID 44818981

CID 44818981 (PubChem CID 44818981) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol.

Molecular Properties

Compound NameCID 44818981
PubChem CID44818981
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name—
SMILESCc1ccc2c(c1)C1(C(=O)N2)N(C)CCC12CN(C)CCC2=O
InChIInChI=1S/C18H23N3O2/c1-12-4-5-14-13(10-12)18(16(23)19-14)17(7-9-21(18)3)11-20(2)8-6-15(17)22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23)
InChIKeyISADLTMTHUPHAK-UHFFFAOYSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 44818981?
The IUPAC name of CID 44818981 (CID 44818981) is not available.
What is the SMILES notation for CID 44818981?
The canonical SMILES for CID 44818981 is Cc1ccc2c(c1)C1(C(=O)N2)N(C)CCC12CN(C)CCC2=O.
What is the InChIKey of CID 44818981?
The InChIKey is ISADLTMTHUPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-4-5-14-13(10-12)18(16(23)19-14)17(7-9-21(18)3)11-20(2)8-6-15(17)22/h4-5,10H,6-9,11H2,1-3H3,(H,19,23).
What are the key properties of CID 44818981?
CID 44818981 has a molecular weight of 313.40 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44818981 is sourced from PubChem (CID 44818981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).