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

C19H22N2O2 — CID 92713528

IUPAC1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H]2COc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-12-8-13(2)18(14(3)9-12)21-19(22)20-16-10-15-6-4-5-7-17(15)23-11-16/h4-9,16H,10-11H2,1-3H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyYLYRJTMSNQEXON-MRXNPFEDSA-N
MW310.40 g/mol
LogP3.74
Rot. Bonds2

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

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 92713528) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID92713528
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H]2COc3ccccc3C2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-12-8-13(2)18(14(3)9-12)21-19(22)20-16-10-15-6-4-5-7-17(15)23-11-16/h4-9,16H,10-11H2,1-3H3,(H2,20,21,22)/t16-/m1/s1
InChIKeyYLYRJTMSNQEXON-MRXNPFEDSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.74
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-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
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-(3-ethylphenyl)urea
CID 92713540
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
1-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea (CID 92713528) is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N[C@H]2COc3ccccc3C2)c(C)c1.
What is the InChIKey of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is YLYRJTMSNQEXON-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-8-13(2)18(14(3)9-12)21-19(22)20-16-10-15-6-4-5-7-17(15)23-11-16/h4-9,16H,10-11H2,1-3H3,(H2,20,21,22)/t16-/m1/s1.
What are the key properties of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea?
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.74, 2 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-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 92713528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).