1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea

C18H19N3O3 — CID 78893226

IUPAC1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
SMILESCc1ccccc1C(C)NC(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C18H19N3O3/c1-11-5-3-4-6-14(11)12(2)19-18(23)20-13-7-8-15-16(9-13)24-10-17(22)21-15/h3-9,12H,10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyBZLUFZVBAKMNLQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.21
Rot. Bonds3

About 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea

1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea (PubChem CID 78893226) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
PubChem CID78893226
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
SMILESCc1ccccc1C(C)NC(=O)Nc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C18H19N3O3/c1-11-5-3-4-6-14(11)12(2)19-18(23)20-13-7-8-15-16(9-13)24-10-17(22)21-15/h3-9,12H,10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyBZLUFZVBAKMNLQ-UHFFFAOYSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
1-(1,3-benzodioxol-5-yl)-3-[1-(2-methylphenyl)ethyl]urea
CID 51301780
1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893078
1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 154754509
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893346
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
(2S)-2-methyl-4-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperazine-1-carboxamide
CID 125156301
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 86987409

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea (CID 78893226) is 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea is Cc1ccccc1C(C)NC(=O)Nc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The InChIKey is BZLUFZVBAKMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-5-3-4-6-14(11)12(2)19-18(23)20-13-7-8-15-16(9-13)24-10-17(22)21-15/h3-9,12H,10H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea has a molecular weight of 325.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea is sourced from PubChem (CID 78893226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).