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

C24H27N3O2 — CID 86861386

IUPAC1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-19(23-13-6-7-14-25-23)27(2)24(28)26-16-21-11-8-12-22(15-21)18-29-17-20-9-4-3-5-10-20/h3-15,19H,16-18H2,1-2H3,(H,26,28)
InChIKeyDHNFTIVCBZTEHK-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.70
Rot. Bonds8

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

1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea (PubChem CID 86861386) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
PubChem CID86861386
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-19(23-13-6-7-14-25-23)27(2)24(28)26-16-21-11-8-12-22(15-21)18-29-17-20-9-4-3-5-10-20/h3-15,19H,16-18H2,1-2H3,(H,26,28)
InChIKeyDHNFTIVCBZTEHK-UHFFFAOYSA-N
XLogP4.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
CID 86867283
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
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86862939
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea (CID 86861386) is 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea is CC(c1ccccn1)N(C)C(=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is DHNFTIVCBZTEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-19(23-13-6-7-14-25-23)27(2)24(28)26-16-21-11-8-12-22(15-21)18-29-17-20-9-4-3-5-10-20/h3-15,19H,16-18H2,1-2H3,(H,26,28).
What are the key properties of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea?
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 389.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86861386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).