1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea

C27H36N2O2 — CID 91375576

IUPAC1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea
SMILESCCCC1CCC(CC2Cc3ccccc3C2Oc2cccc(NC(=O)NC)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-3-7-19-12-14-20(15-13-19)16-22-17-21-8-4-5-11-25(21)26(22)31-24-10-6-9-23(18-24)29-27(30)28-2/h4-6,8-11,18-20,22,26H,3,7,12-17H2,1-2H3,(H2,28,29,30)
InChIKeyDBPIDIPGMHHYOG-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.73
Rot. Bonds7

About 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea

1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea (PubChem CID 91375576) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea
PubChem CID91375576
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea
SMILESCCCC1CCC(CC2Cc3ccccc3C2Oc2cccc(NC(=O)NC)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-3-7-19-12-14-20(15-13-19)16-22-17-21-8-4-5-11-25(21)26(22)31-24-10-6-9-23(18-24)29-27(30)28-2/h4-6,8-11,18-20,22,26H,3,7,12-17H2,1-2H3,(H2,28,29,30)
InChIKeyDBPIDIPGMHHYOG-UHFFFAOYSA-N
XLogP6.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea?
The IUPAC name of 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea (CID 91375576) is 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea?
The canonical SMILES for 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea is CCCC1CCC(CC2Cc3ccccc3C2Oc2cccc(NC(=O)NC)c2)CC1.
What is the InChIKey of 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea?
The InChIKey is DBPIDIPGMHHYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-3-7-19-12-14-20(15-13-19)16-22-17-21-8-4-5-11-25(21)26(22)31-24-10-6-9-23(18-24)29-27(30)28-2/h4-6,8-11,18-20,22,26H,3,7,12-17H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea?
1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea has a molecular weight of 420.60 g/mol, XLogP of 6.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[[2-[(4-propylcyclohexyl)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea is sourced from PubChem (CID 91375576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).