1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea

C23H25N3O2 — CID 86861427

IUPAC1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C23H25N3O2/c1-18(22-13-6-7-14-24-22)26(2)23(27)25-16-19-9-8-10-20(15-19)17-28-21-11-4-3-5-12-21/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyMZLVKZCPVRHCTG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.56
Rot. Bonds7

About 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea

1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea (PubChem CID 86861427) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
PubChem CID86861427
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C23H25N3O2/c1-18(22-13-6-7-14-24-22)26(2)23(27)25-16-19-9-8-10-20(15-19)17-28-21-11-4-3-5-12-21/h3-15,18H,16-17H2,1-2H3,(H,25,27)
InChIKeyMZLVKZCPVRHCTG-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
CID 86826170
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737702
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
2-methyl-1-[[3-(phenoxymethyl)phenyl]methyl]-3-propan-2-ylguanidine
CID 111125270
tert-butyl N-methyl-N-[2-oxo-2-[[3-(phenoxymethyl)phenyl]methylamino]ethyl]carbamate
CID 56522271

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea (CID 86861427) is 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea is CC(c1ccccn1)N(C)C(=O)NCc1cccc(COc2ccccc2)c1.
What is the InChIKey of 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is MZLVKZCPVRHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-18(22-13-6-7-14-24-22)26(2)23(27)25-16-19-9-8-10-20(15-19)17-28-21-11-4-3-5-12-21/h3-15,18H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 375.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86861427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).