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

C19H22N2O3 — CID 92713597

IUPAC1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
SMILESCCc1ccc(NC(=O)N[C@@H]2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-4-6-15(7-5-13)20-19(22)21-16-10-14-11-17(23-2)8-9-18(14)24-12-16/h4-9,11,16H,3,10,12H2,1-2H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyJDIPWFKQBIYQBT-INIZCTEOSA-N
MW326.40 g/mol
LogP3.38
Rot. Bonds4

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

1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea (PubChem CID 92713597) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
PubChem CID92713597
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
SMILESCCc1ccc(NC(=O)N[C@@H]2COc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-4-6-15(7-5-13)20-19(22)21-16-10-14-11-17(23-2)8-9-18(14)24-12-16/h4-9,11,16H,3,10,12H2,1-2H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyJDIPWFKQBIYQBT-INIZCTEOSA-N
XLogP3.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
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-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 162649315
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea (CID 92713597) is 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea is CCc1ccc(NC(=O)N[C@@H]2COc3ccc(OC)cc3C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The InChIKey is JDIPWFKQBIYQBT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-4-6-15(7-5-13)20-19(22)21-16-10-14-11-17(23-2)8-9-18(14)24-12-16/h4-9,11,16H,3,10,12H2,1-2H3,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea is sourced from PubChem (CID 92713597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).