1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea

C22H22N2O4 — CID 52593579

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-20-13-12-16(14-21(20)27-2)15-23-22(25)24-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyRRURPRIBSWVNGL-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.82
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea (PubChem CID 52593579) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
PubChem CID52593579
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-20-13-12-16(14-21(20)27-2)15-23-22(25)24-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyRRURPRIBSWVNGL-UHFFFAOYSA-N
XLogP4.82
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-aminooxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 142259759
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-methoxyphenoxy)but-2-ynyl]urea
CID 90575695

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea (CID 52593579) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea is COc1ccc(CNC(=O)Nc2ccccc2Oc2ccccc2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is RRURPRIBSWVNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-20-13-12-16(14-21(20)27-2)15-23-22(25)24-18-10-6-7-11-19(18)28-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 378.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 52593579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).