1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea

C23H30N2O — CID 14977537

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O/c1-17(2)20-13-9-10-18(3)21(20)25-22(26)24-16-23(14-7-8-15-23)19-11-5-4-6-12-19/h4-6,9-13,17H,7-8,14-16H2,1-3H3,(H2,24,25,26)
InChIKeyDCYJVKSJIBPVJR-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.75
Rot. Bonds5

About 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea

1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea (PubChem CID 14977537) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
PubChem CID14977537
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O/c1-17(2)20-13-9-10-18(3)21(20)25-22(26)24-16-23(14-7-8-15-23)19-11-5-4-6-12-19/h4-6,9-13,17H,7-8,14-16H2,1-3H3,(H2,24,25,26)
InChIKeyDCYJVKSJIBPVJR-UHFFFAOYSA-N
XLogP5.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea (CID 14977537) is 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea is Cc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea?
The InChIKey is DCYJVKSJIBPVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-17(2)20-13-9-10-18(3)21(20)25-22(26)24-16-23(14-7-8-15-23)19-11-5-4-6-12-19/h4-6,9-13,17H,7-8,14-16H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea has a molecular weight of 350.51 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea is sourced from PubChem (CID 14977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).