N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide

C15H18N2O3 — CID 110729830

IUPACN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)C1CCC1
InChIInChI=1S/C15H18N2O3/c18-14-10-20-13-7-2-1-6-12(13)17(14)9-8-16-15(19)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,19)
InChIKeyMWLHKWAFTRLPIP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide

N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide (PubChem CID 110729830) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
PubChem CID110729830
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)C1CCC1
InChIInChI=1S/C15H18N2O3/c18-14-10-20-13-7-2-1-6-12(13)17(14)9-8-16-15(19)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,19)
InChIKeyMWLHKWAFTRLPIP-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119333239
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
3-amino-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800542
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3551660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide (CID 110729830) is N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide is O=C(NCCN1C(=O)COc2ccccc21)C1CCC1.
What is the InChIKey of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is MWLHKWAFTRLPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-10-20-13-7-2-1-6-12(13)17(14)9-8-16-15(19)11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,16,19).
What are the key properties of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide?
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110729830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).