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

C18H20N2O3 — CID 92713604

IUPAC1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
SMILESCOc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccccc1C)CO2
InChIInChI=1S/C18H20N2O3/c1-12-5-3-4-6-16(12)20-18(21)19-14-9-13-10-15(22-2)7-8-17(13)23-11-14/h3-8,10,14H,9,11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyMUBKQOMOONLRAY-CQSZACIVSA-N
MW312.37 g/mol
LogP3.13
Rot. Bonds3

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

1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea (PubChem CID 92713604) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
PubChem CID92713604
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
SMILESCOc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccccc1C)CO2
InChIInChI=1S/C18H20N2O3/c1-12-5-3-4-6-16(12)20-18(21)19-14-9-13-10-15(22-2)7-8-17(13)23-11-14/h3-8,10,14H,9,11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyMUBKQOMOONLRAY-CQSZACIVSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713615
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-(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-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea (CID 92713604) is 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea is COc1ccc2c(c1)C[C@@H](NC(=O)Nc1ccccc1C)CO2.
What is the InChIKey of 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea?
The InChIKey is MUBKQOMOONLRAY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-3-4-6-16(12)20-18(21)19-14-9-13-10-15(22-2)7-8-17(13)23-11-14/h3-8,10,14H,9,11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea?
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea has a molecular weight of 312.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 92713604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).