1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea

C20H23N3O2 — CID 124855662

IUPAC1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1C
InChIInChI=1S/C20H23N3O2/c1-13-4-6-17(10-14(13)2)22-20(25)21-12-19(24)16-5-7-18-15(11-16)8-9-23(18)3/h4-11,19,24H,12H2,1-3H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyZMAJTYYAKCUIRN-LJQANCHMSA-N
MW337.42 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea

1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea (PubChem CID 124855662) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
PubChem CID124855662
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1C
InChIInChI=1S/C20H23N3O2/c1-13-4-6-17(10-14(13)2)22-20(25)21-12-19(24)16-5-7-18-15(11-16)8-9-23(18)3/h4-11,19,24H,12H2,1-3H3,(H2,21,22,25)/t19-/m1/s1
InChIKeyZMAJTYYAKCUIRN-LJQANCHMSA-N
XLogP3.65
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]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-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea (CID 124855662) is 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea is Cc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea?
The InChIKey is ZMAJTYYAKCUIRN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-4-6-17(10-14(13)2)22-20(25)21-12-19(24)16-5-7-18-15(11-16)8-9-23(18)3/h4-11,19,24H,12H2,1-3H3,(H2,21,22,25)/t19-/m1/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea?
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea is sourced from PubChem (CID 124855662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).