1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea

C24H26N2O2 — CID 11760541

IUPAC1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea
SMILESCCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-21(18-19-10-6-4-7-11-19)26(2)24(27)25-20-14-16-23(17-15-20)28-22-12-8-5-9-13-22/h4-17,21H,3,18H2,1-2H3,(H,25,27)
InChIKeyBVLBVQUFUDMCEW-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.96
Rot. Bonds7

About 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea

1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea (PubChem CID 11760541) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea
PubChem CID11760541
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea
SMILESCCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-3-21(18-19-10-6-4-7-11-19)26(2)24(27)25-20-14-16-23(17-15-20)28-22-12-8-5-9-13-22/h4-17,21H,3,18H2,1-2H3,(H,25,27)
InChIKeyBVLBVQUFUDMCEW-UHFFFAOYSA-N
XLogP5.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea?
The IUPAC name of 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea (CID 11760541) is 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea?
The canonical SMILES for 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea is CCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea?
The InChIKey is BVLBVQUFUDMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-21(18-19-10-6-4-7-11-19)26(2)24(27)25-20-14-16-23(17-15-20)28-22-12-8-5-9-13-22/h4-17,21H,3,18H2,1-2H3,(H,25,27).
What are the key properties of 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea?
1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea has a molecular weight of 374.48 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenoxyphenyl)-1-(1-phenylbutan-2-yl)urea is sourced from PubChem (CID 11760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).