6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one

C14H18N2O3 — CID 112561898

IUPAC6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one
SMILESCCOC1CC(Nc2ccc3c(c2)NC(=O)CO3)C1
InChIInChI=1S/C14H18N2O3/c1-2-18-11-5-10(6-11)15-9-3-4-13-12(7-9)16-14(17)8-19-13/h3-4,7,10-11,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyDPYZCOUFUOODLV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds4

About 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one

6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one (PubChem CID 112561898) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one
PubChem CID112561898
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one
SMILESCCOC1CC(Nc2ccc3c(c2)NC(=O)CO3)C1
InChIInChI=1S/C14H18N2O3/c1-2-18-11-5-10(6-11)15-9-3-4-13-12(7-9)16-14(17)8-19-13/h3-4,7,10-11,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyDPYZCOUFUOODLV-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(3-methylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 104860016
6-[(3-cyclopropylcyclohexyl)amino]-4H-1,4-benzoxazin-3-one
CID 64594254
6-[(1-prop-2-ynylpiperidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 43767742
6-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 112633272
6-(thian-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 62871056
6-(hexan-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 103930958
6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-4H-1,4-benzoxazin-3-one
CID 79908581
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
6-(octan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43129967
6-(oxan-4-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 62387189
6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
CID 43767738
6-[(2-ethylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 62390858

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one (CID 112561898) is 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one is CCOC1CC(Nc2ccc3c(c2)NC(=O)CO3)C1.
What is the InChIKey of 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is DPYZCOUFUOODLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-18-11-5-10(6-11)15-9-3-4-13-12(7-9)16-14(17)8-19-13/h3-4,7,10-11,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxycyclobutyl)amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 112561898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).