N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C14H17N3O3 — CID 119612892

IUPACN-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)NC(=O)CO2)C1CC1
InChIInChI=1S/C14H17N3O3/c15-6-11(8-1-2-8)17-14(19)9-3-4-12-10(5-9)16-13(18)7-20-12/h3-5,8,11H,1-2,6-7,15H2,(H,16,18)(H,17,19)
InChIKeyCLWLCQBOSBLZKQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.48
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 119612892) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID119612892
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)NC(=O)CO2)C1CC1
InChIInChI=1S/C14H17N3O3/c15-6-11(8-1-2-8)17-14(19)9-3-4-12-10(5-9)16-13(18)7-20-12/h3-5,8,11H,1-2,6-7,15H2,(H,16,18)(H,17,19)
InChIKeyCLWLCQBOSBLZKQ-UHFFFAOYSA-N
XLogP0.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711574
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
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
6-(2-cyclopropylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 83154072
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 171682700
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119568778
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 119612892) is N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is NCC(NC(=O)c1ccc2c(c1)NC(=O)CO2)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CLWLCQBOSBLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-6-11(8-1-2-8)17-14(19)9-3-4-12-10(5-9)16-13(18)7-20-12/h3-5,8,11H,1-2,6-7,15H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 119612892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).