CID 102376695

C19H25NO3 — CID 102376695

IUPAC—
SMILESc1ccc([C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1
InChIInChI=1S/C19H25NO3/c1-3-7-15(8-4-1)17-11-16-12-18(20(17)23-16)13-21-19(22-14-18)9-5-2-6-10-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16?,17-/m0/s1
InChIKeyDAPOXGGAMFTDSN-DJNXLDHESA-N
MW315.41 g/mol
LogP3.58
Rot. Bonds1

About CID 102376695

CID 102376695 (PubChem CID 102376695) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol.

Molecular Properties

Compound NameCID 102376695
PubChem CID102376695
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name—
SMILESc1ccc([C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1
InChIInChI=1S/C19H25NO3/c1-3-7-15(8-4-1)17-11-16-12-18(20(17)23-16)13-21-19(22-14-18)9-5-2-6-10-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16?,17-/m0/s1
InChIKeyDAPOXGGAMFTDSN-DJNXLDHESA-N
XLogP3.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 102376695?
The IUPAC name of CID 102376695 (CID 102376695) is not available.
What is the SMILES notation for CID 102376695?
The canonical SMILES for CID 102376695 is c1ccc([C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1.
What is the InChIKey of CID 102376695?
The InChIKey is DAPOXGGAMFTDSN-DJNXLDHESA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-7-15(8-4-1)17-11-16-12-18(20(17)23-16)13-21-19(22-14-18)9-5-2-6-10-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t16?,17-/m0/s1.
What are the key properties of CID 102376695?
CID 102376695 has a molecular weight of 315.41 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102376695 is sourced from PubChem (CID 102376695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).