1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea

C20H26N2O4 — CID 51944364

IUPAC1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-13(2)14-5-7-15(8-6-14)22-20(24)21-12-18(23)17-11-16(25-3)9-10-19(17)26-4/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyCPXUMLFRURHPEL-GOSISDBHSA-N
MW358.44 g/mol
LogP3.68
Rot. Bonds7

About 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea

1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 51944364) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID51944364
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O4/c1-13(2)14-5-7-15(8-6-14)22-20(24)21-12-18(23)17-11-16(25-3)9-10-19(17)26-4/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyCPXUMLFRURHPEL-GOSISDBHSA-N
XLogP3.68
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94179735
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
CID 55740597
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55697872
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea (CID 51944364) is 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea is COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is CPXUMLFRURHPEL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13(2)14-5-7-15(8-6-14)22-20(24)21-12-18(23)17-11-16(25-3)9-10-19(17)26-4/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24)/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea?
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 51944364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).