1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea

C20H26N2O2 — CID 86867283

IUPAC1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
SMILESCCCN(C)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-3-12-22(2)20(23)21-14-18-10-7-11-19(13-18)16-24-15-17-8-5-4-6-9-17/h4-11,13H,3,12,14-16H2,1-2H3,(H,21,23)
InChIKeyHPEDTTKPVGNPHI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.95
Rot. Bonds8

About 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea

1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea (PubChem CID 86867283) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea.

Molecular Properties

Compound Name1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
PubChem CID86867283
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea
SMILESCCCN(C)C(=O)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-3-12-22(2)20(23)21-14-18-10-7-11-19(13-18)16-24-15-17-8-5-4-6-9-17/h4-11,13H,3,12,14-16H2,1-2H3,(H,21,23)
InChIKeyHPEDTTKPVGNPHI-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
1-benzyl-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952393
3-[methyl-[(3-propan-2-ylphenyl)methylcarbamoyl]amino]propanoic acid
CID 122010578
ethyl 1-[N'-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155382
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
CID 78917448
3-[methyl-[[3-(3-methylphenyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122000215
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea?
The IUPAC name of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea (CID 86867283) is 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea.
What is the SMILES notation for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea?
The canonical SMILES for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea is CCCN(C)C(=O)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea?
The InChIKey is HPEDTTKPVGNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-12-22(2)20(23)21-14-18-10-7-11-19(13-18)16-24-15-17-8-5-4-6-9-17/h4-11,13H,3,12,14-16H2,1-2H3,(H,21,23).
What are the key properties of 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea?
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea has a molecular weight of 326.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-propylurea is sourced from PubChem (CID 86867283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).