1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea

C20H26N2O3 — CID 56820488

IUPAC1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea
SMILESCCN(CC)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-4-22(5-2)20(23)21-18-8-6-7-17(13-18)15-25-14-16-9-11-19(24-3)12-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyUFQLZJBYXSZSFY-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.29
Rot. Bonds8

About 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea

1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea (PubChem CID 56820488) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea
PubChem CID56820488
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea
SMILESCCN(CC)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H26N2O3/c1-4-22(5-2)20(23)21-18-8-6-7-17(13-18)15-25-14-16-9-11-19(24-3)12-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyUFQLZJBYXSZSFY-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166198814
6-(dimethylamino)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyridine-3-carboxamide
CID 86812770
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
CID 55819420
1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(3-methoxyphenyl)urea
CID 51328316
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea?
The IUPAC name of 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea (CID 56820488) is 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea?
The canonical SMILES for 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea is CCN(CC)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1.
What is the InChIKey of 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea?
The InChIKey is UFQLZJBYXSZSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(5-2)20(23)21-18-8-6-7-17(13-18)15-25-14-16-9-11-19(24-3)12-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea?
1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea is sourced from PubChem (CID 56820488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).