CID 59192533

C16H22NO3 — CID 59192533

IUPAC—
SMILESCC(C)(C)OC(=O)COc1cccc2c1CCC[C@H]2[NH]
InChIInChI=1S/C16H22NO3/c1-16(2,3)20-15(18)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13,17H,4,7-8,10H2,1-3H3/t13-/m1/s1
InChIKeyNHDAPMONLMPMNI-CYBMUJFWSA-N
MW276.36 g/mol
LogP3.07
Rot. Bonds3

About CID 59192533

CID 59192533 (PubChem CID 59192533) has the molecular formula C16H22NO3 and a molecular weight of 276.36 g/mol.

Molecular Properties

Compound NameCID 59192533
PubChem CID59192533
Molecular FormulaC16H22NO3
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name—
SMILESCC(C)(C)OC(=O)COc1cccc2c1CCC[C@H]2[NH]
InChIInChI=1S/C16H22NO3/c1-16(2,3)20-15(18)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13,17H,4,7-8,10H2,1-3H3/t13-/m1/s1
InChIKeyNHDAPMONLMPMNI-CYBMUJFWSA-N
XLogP3.07
TPSA59.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59192533?
The IUPAC name of CID 59192533 (CID 59192533) is not available.
What is the SMILES notation for CID 59192533?
The canonical SMILES for CID 59192533 is CC(C)(C)OC(=O)COc1cccc2c1CCC[C@H]2[NH].
What is the InChIKey of CID 59192533?
The InChIKey is NHDAPMONLMPMNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22NO3/c1-16(2,3)20-15(18)10-19-14-9-5-6-11-12(14)7-4-8-13(11)17/h5-6,9,13,17H,4,7-8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of CID 59192533?
CID 59192533 has a molecular weight of 276.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59192533 is sourced from PubChem (CID 59192533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).