3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea

C23H25N3O — CID 121084600

IUPAC3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(CCc2ccccc2)Cc2ccccn2)c1
InChIInChI=1S/C23H25N3O/c1-18-14-19(2)16-22(15-18)25-23(27)26(17-21-10-6-7-12-24-21)13-11-20-8-4-3-5-9-20/h3-10,12,14-16H,11,13,17H2,1-2H3,(H,25,27)
InChIKeyQSULAXWDTVSEOB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.98
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea

3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 121084600) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID121084600
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(CCc2ccccc2)Cc2ccccn2)c1
InChIInChI=1S/C23H25N3O/c1-18-14-19(2)16-22(15-18)25-23(27)26(17-21-10-6-7-12-24-21)13-11-20-8-4-3-5-9-20/h3-10,12,14-16H,11,13,17H2,1-2H3,(H,25,27)
InChIKeyQSULAXWDTVSEOB-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
1-[(4-tert-butylphenyl)methyl]-3-(3-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42704672
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
CID 42703373
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 77090295
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea (CID 121084600) is 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea is Cc1cc(C)cc(NC(=O)N(CCc2ccccc2)Cc2ccccn2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is QSULAXWDTVSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-14-19(2)16-22(15-18)25-23(27)26(17-21-10-6-7-12-24-21)13-11-20-8-4-3-5-9-20/h3-10,12,14-16H,11,13,17H2,1-2H3,(H,25,27).
What are the key properties of 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea?
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 359.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 121084600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).