1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea

C25H40N2O — CID 19935038

IUPAC1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C25H40N2O/c1-17(2)22-11-8-12-23(18(3)4)24(22)27-25(28)26-21-15-13-20(14-16-21)19-9-6-5-7-10-19/h8,11-12,17-21H,5-7,9-10,13-16H2,1-4H3,(H2,26,27,28)
InChIKeySYTTULXZYPDQOZ-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.19
Rot. Bonds5

About 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea

1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 19935038) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID19935038
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C25H40N2O/c1-17(2)22-11-8-12-23(18(3)4)24(22)27-25(28)26-21-15-13-20(14-16-21)19-9-6-5-7-10-19/h8,11-12,17-21H,5-7,9-10,13-16H2,1-4H3,(H2,26,27,28)
InChIKeySYTTULXZYPDQOZ-UHFFFAOYSA-N
XLogP7.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
1-[4,4-bis(4-chlorophenyl)cyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935134
1-[cyclohexyl(phenylsulfanyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 68631998
1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108970749
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 108993678
1-[cyclohexyl-(4-methylphenyl)sulfanylmethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 68632761
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea (CID 19935038) is 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is SYTTULXZYPDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O/c1-17(2)22-11-8-12-23(18(3)4)24(22)27-25(28)26-21-15-13-20(14-16-21)19-9-6-5-7-10-19/h8,11-12,17-21H,5-7,9-10,13-16H2,1-4H3,(H2,26,27,28).
What are the key properties of 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 384.61 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 19935038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).