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

C18H20N2O2 — CID 92713540

IUPAC1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)N[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O2/c1-2-13-6-5-8-15(10-13)19-18(21)20-16-11-14-7-3-4-9-17(14)22-12-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyVNYYHFYLEJZRID-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.37
Rot. Bonds3

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

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea (PubChem CID 92713540) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
PubChem CID92713540
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)N[C@H]2COc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O2/c1-2-13-6-5-8-15(10-13)19-18(21)20-16-11-14-7-3-4-9-17(14)22-12-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyVNYYHFYLEJZRID-MRXNPFEDSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 22580776
1-(3,4-difluorophenyl)-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713549
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea (CID 92713540) is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)N[C@H]2COc3ccccc3C2)c1.
What is the InChIKey of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea?
The InChIKey is VNYYHFYLEJZRID-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-13-6-5-8-15(10-13)19-18(21)20-16-11-14-7-3-4-9-17(14)22-12-16/h3-10,16H,2,11-12H2,1H3,(H2,19,20,21)/t16-/m1/s1.
What are the key properties of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea?
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 92713540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).