1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C23H25N3O — CID 67053045

IUPAC1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NC(C)Cc3ccccc3C)cc2)ccn1
InChIInChI=1S/C23H25N3O/c1-16-6-4-5-7-20(16)15-18(3)25-23(27)26-22-10-8-19(9-11-22)21-12-13-24-17(2)14-21/h4-14,18H,15H2,1-3H3,(H2,25,26,27)
InChIKeySJKXKZCKTWEPDV-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.12
Rot. Bonds5

About 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053045) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053045
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NC(C)Cc3ccccc3C)cc2)ccn1
InChIInChI=1S/C23H25N3O/c1-16-6-4-5-7-20(16)15-18(3)25-23(27)26-22-10-8-19(9-11-22)21-12-13-24-17(2)14-21/h4-14,18H,15H2,1-3H3,(H2,25,26,27)
InChIKeySJKXKZCKTWEPDV-UHFFFAOYSA-N
XLogP5.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053109
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
1-[1-(3-cyanophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053091
1-[1-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053166
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
1-(1-isoquinolin-6-ylpropyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea;molecular hydrogen
CID 143891625
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053167

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053045) is 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is Cc1cc(-c2ccc(NC(=O)NC(C)Cc3ccccc3C)cc2)ccn1.
What is the InChIKey of 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is SJKXKZCKTWEPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-6-4-5-7-20(16)15-18(3)25-23(27)26-22-10-8-19(9-11-22)21-12-13-24-17(2)14-21/h4-14,18H,15H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 359.47 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).