N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C15H20N2O4 — CID 103861469

IUPACN-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O4/c1-10(8-18)3-2-6-16-15(20)11-4-5-13-12(7-11)17-14(19)9-21-13/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyCLAAOTQXNZHSLF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.16
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 103861469) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID103861469
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H20N2O4/c1-10(8-18)3-2-6-16-15(20)11-4-5-13-12(7-11)17-14(19)9-21-13/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyCLAAOTQXNZHSLF-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86907913
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
N-(1-hydroxy-3-methylbutan-2-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 79252140
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120655100
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46286909
3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
6-[2-(hydroxymethyl)butanoyl]-4H-1,4-benzoxazin-3-one
CID 116923075
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55390931
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 103861469) is N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC(CO)CCCNC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CLAAOTQXNZHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(8-18)3-2-6-16-15(20)11-4-5-13-12(7-11)17-14(19)9-21-13/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 103861469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).