1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea

C18H16N2O4 — CID 3042361

IUPAC1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-2-23-13-9-7-12(8-10-13)19-18(22)20-17-11-15(21)14-5-3-4-6-16(14)24-17/h3-11H,2H2,1H3,(H2,19,20,22)
InChIKeyUCGDEDCZXNKSRU-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea

1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea (PubChem CID 3042361) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
PubChem CID3042361
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O4/c1-2-23-13-9-7-12(8-10-13)19-18(22)20-17-11-15(21)14-5-3-4-6-16(14)24-17/h3-11H,2H2,1H3,(H2,19,20,22)
InChIKeyUCGDEDCZXNKSRU-UHFFFAOYSA-N
XLogP3.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 50763402
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 35397277
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
CID 18568864
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274479
2-(ethylamino)chromen-4-one
CID 86025135

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea (CID 3042361) is 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea is CCOc1ccc(NC(=O)Nc2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea?
The InChIKey is UCGDEDCZXNKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-23-13-9-7-12(8-10-13)19-18(22)20-17-11-15(21)14-5-3-4-6-16(14)24-17/h3-11H,2H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea?
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea has a molecular weight of 324.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea is sourced from PubChem (CID 3042361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).