1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea

C22H23N3O2 — CID 36512185

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O2/c1-27-20-13-6-5-9-17(20)14-16-24-22(26)25-21(18-10-3-2-4-11-18)19-12-7-8-15-23-19/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m0/s1
InChIKeyRUTMUMIRCZRAGU-NRFANRHFSA-N
MW361.45 g/mol
LogP3.72
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea

1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea (PubChem CID 36512185) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
PubChem CID36512185
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
SMILESCOc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O2/c1-27-20-13-6-5-9-17(20)14-16-24-22(26)25-21(18-10-3-2-4-11-18)19-12-7-8-15-23-19/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m0/s1
InChIKeyRUTMUMIRCZRAGU-NRFANRHFSA-N
XLogP3.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622015
1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea (CID 36512185) is 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea is COc1ccccc1CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is RUTMUMIRCZRAGU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-13-6-5-9-17(20)14-16-24-22(26)25-21(18-10-3-2-4-11-18)19-12-7-8-15-23-19/h2-13,15,21H,14,16H2,1H3,(H2,24,25,26)/t21-/m0/s1.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea?
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 361.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 36512185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).