N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide

C16H20N2O3 — CID 110493196

IUPACN-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)C3CCC3)cc21
InChIInChI=1S/C16H20N2O3/c1-2-8-18-13-9-12(17-16(20)11-4-3-5-11)6-7-14(13)21-10-15(18)19/h6-7,9,11H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyMVWWKGGXAQBMFU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.56
Rot. Bonds4

About N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide

N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide (PubChem CID 110493196) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
PubChem CID110493196
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)C3CCC3)cc21
InChIInChI=1S/C16H20N2O3/c1-2-8-18-13-9-12(17-16(20)11-4-3-5-11)6-7-14(13)21-10-15(18)19/h6-7,9,11H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyMVWWKGGXAQBMFU-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)cyclopropanecarboxamide
CID 40887557
2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
CID 110493193
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
CID 110504184
6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
3-cyclopentyl-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)propanamide
CID 40887520
6-(cyclopropylamino)-4-(2-ethoxyethyl)-1,4-benzoxazin-3-one
CID 58006097
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide?
The IUPAC name of N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide (CID 110493196) is N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide is CCCN1C(=O)COc2ccc(NC(=O)C3CCC3)cc21.
What is the InChIKey of N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide?
The InChIKey is MVWWKGGXAQBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-8-18-13-9-12(17-16(20)11-4-3-5-11)6-7-14(13)21-10-15(18)19/h6-7,9,11H,2-5,8,10H2,1H3,(H,17,20).
What are the key properties of N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide?
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide is sourced from PubChem (CID 110493196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).