CID 102376701

C20H27NO3 — CID 102376701

IUPAC—
SMILESc1ccc(C[C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1
InChIInChI=1S/C20H27NO3/c1-3-7-16(8-4-1)11-17-12-18-13-19(21(17)24-18)14-22-20(23-15-19)9-5-2-6-10-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t17-,18?/m1/s1
InChIKeyNNMYNRMWQRVRQV-QNSVNVJESA-N
MW329.44 g/mol
LogP3.45
Rot. Bonds2

About CID 102376701

CID 102376701 (PubChem CID 102376701) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol.

Molecular Properties

Compound NameCID 102376701
PubChem CID102376701
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name—
SMILESc1ccc(C[C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1
InChIInChI=1S/C20H27NO3/c1-3-7-16(8-4-1)11-17-12-18-13-19(21(17)24-18)14-22-20(23-15-19)9-5-2-6-10-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t17-,18?/m1/s1
InChIKeyNNMYNRMWQRVRQV-QNSVNVJESA-N
XLogP3.45
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 102376701?
The IUPAC name of CID 102376701 (CID 102376701) is not available.
What is the SMILES notation for CID 102376701?
The canonical SMILES for CID 102376701 is c1ccc(C[C@@H]2CC3CC4(COC5(CCCCC5)OC4)N2O3)cc1.
What is the InChIKey of CID 102376701?
The InChIKey is NNMYNRMWQRVRQV-QNSVNVJESA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-7-16(8-4-1)11-17-12-18-13-19(21(17)24-18)14-22-20(23-15-19)9-5-2-6-10-20/h1,3-4,7-8,17-18H,2,5-6,9-15H2/t17-,18?/m1/s1.
What are the key properties of CID 102376701?
CID 102376701 has a molecular weight of 329.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102376701 is sourced from PubChem (CID 102376701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).