N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C14H18N2O3 — CID 83235668

IUPACN-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NOC1CCCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H18N2O3/c17-14(16-19-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2,(H,16,17)
InChIKeyIRNWGIMKLLSGCG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.85
Rot. Bonds3

About N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 83235668) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID83235668
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NOC1CCCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H18N2O3/c17-14(16-19-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2,(H,16,17)
InChIKeyIRNWGIMKLLSGCG-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 83235668) is N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(NOC1CCCC1)C1CNc2ccccc2O1.
What is the InChIKey of N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is IRNWGIMKLLSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(16-19-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)18-13/h3-4,7-8,10,13,15H,1-2,5-6,9H2,(H,16,17).
What are the key properties of N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 83235668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).