3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea

C31H32N2O4 — CID 3706770

IUPAC3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccc(OC)c(OCc3ccccc3)c2)C(C)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O4/c1-23(26-12-8-5-9-13-26)33(31(34)32-27-15-17-28(35-2)18-16-27)21-25-14-19-29(36-3)30(20-25)37-22-24-10-6-4-7-11-24/h4-20,23H,21-22H2,1-3H3,(H,32,34)
InChIKeyIKKINYHZWVBGPB-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.08
Rot. Bonds10

About 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea

3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea (PubChem CID 3706770) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
PubChem CID3706770
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccc(OC)c(OCc3ccccc3)c2)C(C)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O4/c1-23(26-12-8-5-9-13-26)33(31(34)32-27-15-17-28(35-2)18-16-27)21-25-14-19-29(36-3)30(20-25)37-22-24-10-6-4-7-11-24/h4-20,23H,21-22H2,1-3H3,(H,32,34)
InChIKeyIKKINYHZWVBGPB-UHFFFAOYSA-N
XLogP7.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea with MolForge

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Related Compounds

1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 42708378
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
2-[2-[(3,4-dimethoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076984
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
3-(4-ethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3346808
1-butan-2-yl-3-(2-fluorophenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708380
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
3-benzyl-1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708379
1-[(4-tert-butylphenyl)methyl]-1-(1,2-diphenylethyl)-3-(4-methoxyphenyl)urea
CID 42697609
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea (CID 3706770) is 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea is COc1ccc(NC(=O)N(Cc2ccc(OC)c(OCc3ccccc3)c2)C(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea?
The InChIKey is IKKINYHZWVBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-23(26-12-8-5-9-13-26)33(31(34)32-27-15-17-28(35-2)18-16-27)21-25-14-19-29(36-3)30(20-25)37-22-24-10-6-4-7-11-24/h4-20,23H,21-22H2,1-3H3,(H,32,34).
What are the key properties of 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea?
3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea has a molecular weight of 496.61 g/mol, XLogP of 7.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 3706770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).