1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

C19H20N2O4 — CID 22580936

IUPAC1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)Nc1cccc(C(C)=O)c1)CO2
InChIInChI=1S/C19H20N2O4/c1-12(22)13-4-3-5-15(8-13)20-19(23)21-16-9-14-10-17(24-2)6-7-18(14)25-11-16/h3-8,10,16H,9,11H2,1-2H3,(H2,20,21,23)
InChIKeyLWEWDJOFSLXQCH-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580936) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580936
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)Nc1cccc(C(C)=O)c1)CO2
InChIInChI=1S/C19H20N2O4/c1-12(22)13-4-3-5-15(8-13)20-19(23)21-16-9-14-10-17(24-2)6-7-18(14)25-11-16/h3-8,10,16H,9,11H2,1-2H3,(H2,20,21,23)
InChIKeyLWEWDJOFSLXQCH-UHFFFAOYSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 22580776
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
N-[1-(3-benzamidophenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 112824255

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 22580936) is 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is COc1ccc2c(c1)CC(NC(=O)Nc1cccc(C(C)=O)c1)CO2.
What is the InChIKey of 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is LWEWDJOFSLXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(22)13-4-3-5-15(8-13)20-19(23)21-16-9-14-10-17(24-2)6-7-18(14)25-11-16/h3-8,10,16H,9,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 340.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).