3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea

C27H31N3O2 — CID 19874853

IUPAC3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
SMILESCc1ccccc1N(C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-18(2)22-15-11-16-23(19(3)4)25(22)28-26(31)29-27(32)30(21-13-7-6-8-14-21)24-17-10-9-12-20(24)5/h6-19H,1-5H3,(H2,28,29,31,32)
InChIKeyUWCLTUCMZVVQKX-UHFFFAOYSA-N
MW429.56 g/mol
LogP7.32
Rot. Bonds5

About 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea

3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea (PubChem CID 19874853) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea.

Molecular Properties

Compound Name3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
PubChem CID19874853
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
SMILESCc1ccccc1N(C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-18(2)22-15-11-16-23(19(3)4)25(22)28-26(31)29-27(32)30(21-13-7-6-8-14-21)24-17-10-9-12-20(24)5/h6-19H,1-5H3,(H2,28,29,31,32)
InChIKeyUWCLTUCMZVVQKX-UHFFFAOYSA-N
XLogP7.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 67447227
N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea
CID 67914803
1-(2-methyl-6-propan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910145
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea?
The IUPAC name of 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea (CID 19874853) is 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea.
What is the SMILES notation for 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea?
The canonical SMILES for 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea is Cc1ccccc1N(C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea?
The InChIKey is UWCLTUCMZVVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-18(2)22-15-11-16-23(19(3)4)25(22)28-26(31)29-27(32)30(21-13-7-6-8-14-21)24-17-10-9-12-20(24)5/h6-19H,1-5H3,(H2,28,29,31,32).
What are the key properties of 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea?
3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea has a molecular weight of 429.56 g/mol, XLogP of 7.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea is sourced from PubChem (CID 19874853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).