CID 59873165

C20H30NO2 — CID 59873165

IUPAC—
SMILESC=C(C)c1ccc(OC2C(C)C(C)(C)N([O])C(C)(C)C2C)cc1
InChIInChI=1S/C20H30NO2/c1-13(2)16-9-11-17(12-10-16)23-18-14(3)19(5,6)21(22)20(7,8)15(18)4/h9-12,14-15,18H,1H2,2-8H3
InChIKeySMFAUSQRMQXHDU-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.96
Rot. Bonds3

About CID 59873165

CID 59873165 (PubChem CID 59873165) has the molecular formula C20H30NO2 and a molecular weight of 316.47 g/mol.

Molecular Properties

Compound NameCID 59873165
PubChem CID59873165
Molecular FormulaC20H30NO2
Molecular Weight316.47 g/mol
Exact Mass316.23
IUPAC Name—
SMILESC=C(C)c1ccc(OC2C(C)C(C)(C)N([O])C(C)(C)C2C)cc1
InChIInChI=1S/C20H30NO2/c1-13(2)16-9-11-17(12-10-16)23-18-14(3)19(5,6)21(22)20(7,8)15(18)4/h9-12,14-15,18H,1H2,2-8H3
InChIKeySMFAUSQRMQXHDU-UHFFFAOYSA-N
XLogP4.96
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59873165?
The IUPAC name of CID 59873165 (CID 59873165) is not available.
What is the SMILES notation for CID 59873165?
The canonical SMILES for CID 59873165 is C=C(C)c1ccc(OC2C(C)C(C)(C)N([O])C(C)(C)C2C)cc1.
What is the InChIKey of CID 59873165?
The InChIKey is SMFAUSQRMQXHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30NO2/c1-13(2)16-9-11-17(12-10-16)23-18-14(3)19(5,6)21(22)20(7,8)15(18)4/h9-12,14-15,18H,1H2,2-8H3.
What are the key properties of CID 59873165?
CID 59873165 has a molecular weight of 316.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59873165 is sourced from PubChem (CID 59873165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).