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

C24H26N2O4 — CID 90497664

IUPAC1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCOc1cccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C24H26N2O4/c1-24(28,19-14-12-18(13-15-19)17-8-5-4-6-9-17)16-25-23(27)26-20-10-7-11-21(29-2)22(20)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27)
InChIKeyUKCIOMFDLHXUPD-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.40
Rot. Bonds7

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

1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (PubChem CID 90497664) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
PubChem CID90497664
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCOc1cccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C24H26N2O4/c1-24(28,19-14-12-18(13-15-19)17-8-5-4-6-9-17)16-25-23(27)26-20-10-7-11-21(29-2)22(20)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27)
InChIKeyUKCIOMFDLHXUPD-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-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95983787
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
3-[[5-[4-[(2,3-dimethoxyphenyl)carbamoylamino]phenyl]-2-pyridinyl]amino]-2,2-dimethylpropanoic acid
CID 25204754
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781852
1-(2,3-dimethoxyphenyl)-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575382

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (CID 90497664) is 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is COc1cccc(NC(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The InChIKey is UKCIOMFDLHXUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(28,19-14-12-18(13-15-19)17-8-5-4-6-9-17)16-25-23(27)26-20-10-7-11-21(29-2)22(20)30-3/h4-15,28H,16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
1-(2,3-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-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 90497664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).