1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea

C24H32N4O4 — CID 51696853

IUPAC1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
SMILESCOc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C24H32N4O4/c1-27-7-6-18-12-17(4-5-22(18)27)23(28-8-10-32-11-9-28)16-25-24(29)26-19-13-20(30-2)15-21(14-19)31-3/h4-5,12-15,23H,6-11,16H2,1-3H3,(H2,25,26,29)/t23-/m1/s1
InChIKeyRFRDKMJZTOLXPN-HSZRJFAPSA-N
MW440.54 g/mol
LogP2.89
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea

1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 51696853) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
PubChem CID51696853
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
SMILESCOc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C24H32N4O4/c1-27-7-6-18-12-17(4-5-22(18)27)23(28-8-10-32-11-9-28)16-25-24(29)26-19-13-20(30-2)15-21(14-19)31-3/h4-5,12-15,23H,6-11,16H2,1-3H3,(H2,25,26,29)/t23-/m1/s1
InChIKeyRFRDKMJZTOLXPN-HSZRJFAPSA-N
XLogP2.89
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]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-ethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea
CID 51696852
3-(4-methoxyphenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]propanamide
CID 30575402
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576321
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
3,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40890098
1-(4-fluorophenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 51696860
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]urea
CID 51696842
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30575756
N'-(3-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802024
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea (CID 51696853) is 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea is COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is RFRDKMJZTOLXPN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-27-7-6-18-12-17(4-5-22(18)27)23(28-8-10-32-11-9-28)16-25-24(29)26-19-13-20(30-2)15-21(14-19)31-3/h4-5,12-15,23H,6-11,16H2,1-3H3,(H2,25,26,29)/t23-/m1/s1.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 440.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 51696853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).