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

C25H34N2O — CID 19935050

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1CCCC(c2ccccc2)C1
InChIInChI=1S/C25H34N2O/c1-17(2)22-14-9-15-23(18(3)4)24(22)27-25(28)26-21-13-8-12-20(16-21)19-10-6-5-7-11-19/h5-7,9-11,14-15,17-18,20-21H,8,12-13,16H2,1-4H3,(H2,26,27,28)
InChIKeySHOBKVZNJKGWEZ-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.78
Rot. Bonds5

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

1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea (PubChem CID 19935050) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
PubChem CID19935050
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1CCCC(c2ccccc2)C1
InChIInChI=1S/C25H34N2O/c1-17(2)22-14-9-15-23(18(3)4)24(22)27-25(28)26-21-13-8-12-20(16-21)19-10-6-5-7-11-19/h5-7,9-11,14-15,17-18,20-21H,8,12-13,16H2,1-4H3,(H2,26,27,28)
InChIKeySHOBKVZNJKGWEZ-UHFFFAOYSA-N
XLogP6.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 5008117
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
1-[cyclohexyl(phenylsulfanyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 68631998
1-[4,4-bis(4-chlorophenyl)cyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935134
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-(4-phenylcyclohexyl)urea
CID 3072996

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea (CID 19935050) is 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea is CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCCC(c2ccccc2)C1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea?
The InChIKey is SHOBKVZNJKGWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-17(2)22-14-9-15-23(18(3)4)24(22)27-25(28)26-21-13-8-12-20(16-21)19-10-6-5-7-11-19/h5-7,9-11,14-15,17-18,20-21H,8,12-13,16H2,1-4H3,(H2,26,27,28).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea has a molecular weight of 378.56 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea is sourced from PubChem (CID 19935050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).