CID 2846995

C16H21N2O3 — CID 2846995

IUPAC—
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C16H21N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyUUZPTPLYIOCLBN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.20
Rot. Bonds2

About CID 2846995

CID 2846995 (PubChem CID 2846995) has the molecular formula C16H21N2O3 and a molecular weight of 289.35 g/mol.

Molecular Properties

Compound NameCID 2846995
PubChem CID2846995
Molecular FormulaC16H21N2O3
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name—
SMILESCC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C16H21N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyUUZPTPLYIOCLBN-UHFFFAOYSA-N
XLogP3.20
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 2846995?
The IUPAC name of CID 2846995 (CID 2846995) is not available.
What is the SMILES notation for CID 2846995?
The canonical SMILES for CID 2846995 is CC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1[O].
What is the InChIKey of CID 2846995?
The InChIKey is UUZPTPLYIOCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O3/c1-15(2)10-13(11-16(3,4)18(15)20)17-21-14(19)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of CID 2846995?
CID 2846995 has a molecular weight of 289.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 2846995 is sourced from PubChem (CID 2846995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).