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

C21H21N3O2 — CID 46596546

IUPAC1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c1-26-19-13-6-5-11-17(19)15-23-21(25)24-20(16-9-3-2-4-10-16)18-12-7-8-14-22-18/h2-14,20H,15H2,1H3,(H2,23,24,25)
InChIKeyDMBAVBHYZDVLAX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.68
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea (PubChem CID 46596546) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
PubChem CID46596546
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21N3O2/c1-26-19-13-6-5-11-17(19)15-23-21(25)24-20(16-9-3-2-4-10-16)18-12-7-8-14-22-18/h2-14,20H,15H2,1H3,(H2,23,24,25)
InChIKeyDMBAVBHYZDVLAX-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
(2R)-2-hydroxy-N-[(S)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-phenylacetamide
CID 97248197
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea (CID 46596546) is 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea is COc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
The InChIKey is DMBAVBHYZDVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-13-6-5-11-17(19)15-23-21(25)24-20(16-9-3-2-4-10-16)18-12-7-8-14-22-18/h2-14,20H,15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea has a molecular weight of 347.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea is sourced from PubChem (CID 46596546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).