1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea

C26H30N2O2 — CID 42707790

IUPAC1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
SMILESCCC(C)N(Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-21(3)28(26(29)27-24-15-13-20(2)14-16-24)18-23-11-8-12-25(17-23)30-19-22-9-6-5-7-10-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyYOFKYNPDMIZVLN-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.41
Rot. Bonds8

About 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea

1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea (PubChem CID 42707790) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
PubChem CID42707790
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
SMILESCCC(C)N(Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-21(3)28(26(29)27-24-15-13-20(2)14-16-24)18-23-11-8-12-25(17-23)30-19-22-9-6-5-7-10-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyYOFKYNPDMIZVLN-UHFFFAOYSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)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

1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42708378
1-butan-2-yl-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703287
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
[3-[[[(2S)-butan-2-yl]-[(3-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7361466
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
[3-[[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 42775600
[3-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 93301770
[3-[[[(2R)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 93301769
3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 3706770
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
N-[4-[[2-(3-phenylmethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826536

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea (CID 42707790) is 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea is CCC(C)N(Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The InChIKey is YOFKYNPDMIZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-21(3)28(26(29)27-24-15-13-20(2)14-16-24)18-23-11-8-12-25(17-23)30-19-22-9-6-5-7-10-22/h5-17,21H,4,18-19H2,1-3H3,(H,27,29).
What are the key properties of 1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
1-butan-2-yl-3-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea has a molecular weight of 402.54 g/mol, XLogP of 6.41, 8 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-(4-methylphenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42707790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).