1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea

C25H26N2O2 — CID 154851015

IUPAC1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea
SMILESCc1cccc(-c2cccc(CNC(=O)NC3COc4c(C)cccc4C3)c2)c1
InChIInChI=1S/C25H26N2O2/c1-17-6-3-9-20(12-17)21-10-5-8-19(13-21)15-26-25(28)27-23-14-22-11-4-7-18(2)24(22)29-16-23/h3-13,23H,14-16H2,1-2H3,(H2,26,27,28)
InChIKeySAASZOXEHPOZFC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.77
Rot. Bonds4

About 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea

1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea (PubChem CID 154851015) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea
PubChem CID154851015
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea
SMILESCc1cccc(-c2cccc(CNC(=O)NC3COc4c(C)cccc4C3)c2)c1
InChIInChI=1S/C25H26N2O2/c1-17-6-3-9-20(12-17)21-10-5-8-19(13-21)15-26-25(28)27-23-14-22-11-4-7-18(2)24(22)29-16-23/h3-13,23H,14-16H2,1-2H3,(H2,26,27,28)
InChIKeySAASZOXEHPOZFC-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea?
The IUPAC name of 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea (CID 154851015) is 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea?
The canonical SMILES for 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea is Cc1cccc(-c2cccc(CNC(=O)NC3COc4c(C)cccc4C3)c2)c1.
What is the InChIKey of 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea?
The InChIKey is SAASZOXEHPOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17-6-3-9-20(12-17)21-10-5-8-19(13-21)15-26-25(28)27-23-14-22-11-4-7-18(2)24(22)29-16-23/h3-13,23H,14-16H2,1-2H3,(H2,26,27,28).
What are the key properties of 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea?
1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea has a molecular weight of 386.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3,4-dihydro-2H-chromen-3-yl)-3-[[3-(3-methylphenyl)phenyl]methyl]urea is sourced from PubChem (CID 154851015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).