1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea

C22H23N3O — CID 36524562

IUPAC1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
SMILESCc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O/c1-17-9-5-6-10-18(17)14-16-24-22(26)25-21(19-11-3-2-4-12-19)20-13-7-8-15-23-20/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m1/s1
InChIKeyRKYGDQYIZMUEKP-OAQYLSRUSA-N
MW345.45 g/mol
LogP4.02
Rot. Bonds6

About 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea

1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea (PubChem CID 36524562) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
PubChem CID36524562
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
SMILESCc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O/c1-17-9-5-6-10-18(17)14-16-24-22(26)25-21(19-11-3-2-4-12-19)20-13-7-8-15-23-20/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m1/s1
InChIKeyRKYGDQYIZMUEKP-OAQYLSRUSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
4-[[(4-methylphenyl)-pyridin-2-ylmethyl]carbamoylamino]butanoic acid
CID 122012499
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea (CID 36524562) is 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea is Cc1ccccc1CCNC(=O)N[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is RKYGDQYIZMUEKP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-9-5-6-10-18(17)14-16-24-22(26)25-21(19-11-3-2-4-12-19)20-13-7-8-15-23-20/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m1/s1.
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea?
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 345.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 36524562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).