1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea

C18H22N2O4 — CID 90499727

IUPAC1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCOc1ccc(NC(=O)NCCC(O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-23-14-8-9-15(17(12-14)24-2)20-18(22)19-11-10-16(21)13-6-4-3-5-7-13/h3-9,12,16,21H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyOCINFTYBTMUUJX-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.95
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea

1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea (PubChem CID 90499727) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
PubChem CID90499727
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCOc1ccc(NC(=O)NCCC(O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-23-14-8-9-15(17(12-14)24-2)20-18(22)19-11-10-16(21)13-6-4-3-5-7-13/h3-9,12,16,21H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyOCINFTYBTMUUJX-UHFFFAOYSA-N
XLogP2.95
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
CID 42696932
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-[3-[(2,4-dimethoxyphenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47987974
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea (CID 90499727) is 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea is COc1ccc(NC(=O)NCCC(O)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea?
The InChIKey is OCINFTYBTMUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-14-8-9-15(17(12-14)24-2)20-18(22)19-11-10-16(21)13-6-4-3-5-7-13/h3-9,12,16,21H,10-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea?
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea has a molecular weight of 330.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 90499727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).