1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

C20H24N2O5 — CID 22580982

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)NCc1ccc(OC)cc1OC)CO2
InChIInChI=1S/C20H24N2O5/c1-24-16-6-7-18-14(9-16)8-15(12-27-18)22-20(23)21-11-13-4-5-17(25-2)10-19(13)26-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyUSDKFRJJLKDAQF-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.52
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea

1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (PubChem CID 22580982) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
PubChem CID22580982
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
SMILESCOc1ccc2c(c1)CC(NC(=O)NCc1ccc(OC)cc1OC)CO2
InChIInChI=1S/C20H24N2O5/c1-24-16-6-7-18-14(9-16)8-15(12-27-18)22-20(23)21-11-13-4-5-17(25-2)10-19(13)26-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyUSDKFRJJLKDAQF-UHFFFAOYSA-N
XLogP2.52
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea with MolForge

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Related Compounds

(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
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
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70743872
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
1-[(5-chloro-2-pyridinyl)methyl]-3-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 125136934
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea (CID 22580982) is 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is COc1ccc2c(c1)CC(NC(=O)NCc1ccc(OC)cc1OC)CO2.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
The InChIKey is USDKFRJJLKDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-16-6-7-18-14(9-16)8-15(12-27-18)22-20(23)21-11-13-4-5-17(25-2)10-19(13)26-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea?
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea has a molecular weight of 372.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea is sourced from PubChem (CID 22580982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).