1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

C24H26N2O4 — CID 90497665

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O4/c1-24(28,19-11-9-18(10-12-19)17-7-5-4-6-8-17)16-25-23(27)26-21-14-13-20(29-2)15-22(21)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27)
InChIKeyLXPSVVOCMYCRLF-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.40
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (PubChem CID 90497665) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
PubChem CID90497665
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H26N2O4/c1-24(28,19-11-9-18(10-12-19)17-7-5-4-6-8-17)16-25-23(27)26-21-14-13-20(29-2)15-22(21)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27)
InChIKeyLXPSVVOCMYCRLF-UHFFFAOYSA-N
XLogP4.40
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497664
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
4-(2,4-dimethoxyanilino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 17421509

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (CID 90497665) is 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is COc1ccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The InChIKey is LXPSVVOCMYCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(28,19-11-9-18(10-12-19)17-7-5-4-6-8-17)16-25-23(27)26-21-14-13-20(29-2)15-22(21)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea has a molecular weight of 406.48 g/mol, XLogP of 4.40, 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-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 90497665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).