1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea

C25H28N2O2 — CID 42703287

IUPAC1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCCC(C)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-4-20(3)27(25(28)26-24-16-9-8-11-19(24)2)18-21-12-10-15-23(17-21)29-22-13-6-5-7-14-22/h5-17,20H,4,18H2,1-3H3,(H,26,28)
InChIKeyGWPXSHIFHDAIHR-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.62
Rot. Bonds7

About 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea

1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea (PubChem CID 42703287) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
PubChem CID42703287
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESCCC(C)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-4-20(3)27(25(28)26-24-16-9-8-11-19(24)2)18-21-12-10-15-23(17-21)29-22-13-6-5-7-14-22/h5-17,20H,4,18H2,1-3H3,(H,26,28)
InChIKeyGWPXSHIFHDAIHR-UHFFFAOYSA-N
XLogP6.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea 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

[3-[[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 42775600
3-(2-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 42702973
1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42707790
1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
3-(2-methoxyphenyl)-1-(2-methylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703414
[3-[[butan-2-yl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4146999
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea (CID 42703287) is 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea is CCC(C)N(Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is GWPXSHIFHDAIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-20(3)27(25(28)26-24-16-9-8-11-19(24)2)18-21-12-10-15-23(17-21)29-22-13-6-5-7-14-22/h5-17,20H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea?
1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 388.51 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 42703287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).