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

C19H22N2O4 — CID 22580920

IUPAC1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-24-16-6-4-14(5-7-16)20-19(22)21-15-10-13-11-17(23-2)8-9-18(13)25-12-15/h4-9,11,15H,3,10,12H2,1-2H3,(H2,20,21,22)
InChIKeyZFUVINLCIXTBCJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.22
Rot. Bonds5

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

1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580920) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580920
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCCOc1ccc(NC(=O)NC2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-24-16-6-4-14(5-7-16)20-19(22)21-15-10-13-11-17(23-2)8-9-18(13)25-12-15/h4-9,11,15H,3,10,12H2,1-2H3,(H2,20,21,22)
InChIKeyZFUVINLCIXTBCJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
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-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 162649315
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
CID 53210068

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 22580920) is 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is CCOc1ccc(NC(=O)NC2COc3ccc(OC)cc3C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is ZFUVINLCIXTBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-16-6-4-14(5-7-16)20-19(22)21-15-10-13-11-17(23-2)8-9-18(13)25-12-15/h4-9,11,15H,3,10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).