1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea

C20H22N2O5 — CID 97283237

IUPAC1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea
SMILESCOc1cc(OC)cc([C@H](O)CNC(=O)Nc2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C20H22N2O5/c1-26-15-8-13(9-16(10-15)27-2)19(24)11-21-20(25)22-14-4-5-17-12(7-14)3-6-18(17)23/h4-5,7-10,19,24H,3,6,11H2,1-2H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyPALVNAMDDUHKRG-LJQANCHMSA-N
MW370.41 g/mol
LogP2.69
Rot. Bonds6

About 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea

1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea (PubChem CID 97283237) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea
PubChem CID97283237
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea
SMILESCOc1cc(OC)cc([C@H](O)CNC(=O)Nc2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C20H22N2O5/c1-26-15-8-13(9-16(10-15)27-2)19(24)11-21-20(25)22-14-4-5-17-12(7-14)3-6-18(17)23/h4-5,7-10,19,24H,3,6,11H2,1-2H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyPALVNAMDDUHKRG-LJQANCHMSA-N
XLogP2.69
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(3,5-dimethoxyphenyl)-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798422
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea?
The IUPAC name of 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea (CID 97283237) is 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea?
The canonical SMILES for 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea is COc1cc(OC)cc([C@H](O)CNC(=O)Nc2ccc3c(c2)CCC3=O)c1.
What is the InChIKey of 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea?
The InChIKey is PALVNAMDDUHKRG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-15-8-13(9-16(10-15)27-2)19(24)11-21-20(25)22-14-4-5-17-12(7-14)3-6-18(17)23/h4-5,7-10,19,24H,3,6,11H2,1-2H3,(H2,21,22,25)/t19-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea?
1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea has a molecular weight of 370.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(1-oxo-2,3-dihydroinden-5-yl)urea is sourced from PubChem (CID 97283237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).