N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C17H20N2O4 — CID 110344917

IUPACN-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C1COc2ccc(C(=O)CCC(=O)NC3CCCC3)cc2N1
InChIInChI=1S/C17H20N2O4/c20-14(6-8-16(21)18-12-3-1-2-4-12)11-5-7-15-13(9-11)19-17(22)10-23-15/h5,7,9,12H,1-4,6,8,10H2,(H,18,21)(H,19,22)
InChIKeyNKPRYJFFBUJZMU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.04
Rot. Bonds5

About N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 110344917) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID110344917
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESO=C1COc2ccc(C(=O)CCC(=O)NC3CCCC3)cc2N1
InChIInChI=1S/C17H20N2O4/c20-14(6-8-16(21)18-12-3-1-2-4-12)11-5-7-15-13(9-11)19-17(22)10-23-15/h5,7,9,12H,1-4,6,8,10H2,(H,18,21)(H,19,22)
InChIKeyNKPRYJFFBUJZMU-UHFFFAOYSA-N
XLogP2.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
N-cyclohexyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 22551325
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
CID 103162383
N-cyclopentyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 17453954
2-[[4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoyl]amino]butanoic acid
CID 82033923
N-cyclohexyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 18108649
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
CID 110344950
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 110344917) is N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is O=C1COc2ccc(C(=O)CCC(=O)NC3CCCC3)cc2N1.
What is the InChIKey of N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is NKPRYJFFBUJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-14(6-8-16(21)18-12-3-1-2-4-12)11-5-7-15-13(9-11)19-17(22)10-23-15/h5,7,9,12H,1-4,6,8,10H2,(H,18,21)(H,19,22).
What are the key properties of N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 316.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 110344917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).