1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

C18H22N2O5 — CID 3774763

IUPAC1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H22N2O5/c1-22-14-7-5-6-13(10-14)20-18(21)19-11-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyCTLXHLGIMQQHQN-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.04
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 3774763) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID3774763
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H22N2O5/c1-22-14-7-5-6-13(10-14)20-18(21)19-11-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-10H,11H2,1-4H3,(H2,19,20,21)
InChIKeyCTLXHLGIMQQHQN-UHFFFAOYSA-N
XLogP3.04
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
1-(4-iodophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3547094
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217127
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 3774763) is 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cccc(NC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is CTLXHLGIMQQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-22-14-7-5-6-13(10-14)20-18(21)19-11-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-10H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 346.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 3774763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).