1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea

C24H23N3O2 — CID 40880801

IUPAC1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc([C@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N3O2/c1-29-19-13-11-17(12-14-19)21(22-16-25-23-10-6-5-9-20(22)23)15-26-24(28)27-18-7-3-2-4-8-18/h2-14,16,21,25H,15H2,1H3,(H2,26,27,28)/t21-/m0/s1
InChIKeyMOWXBGNGGFBRME-NRFANRHFSA-N
MW385.47 g/mol
LogP5.13
Rot. Bonds6

About 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea

1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea (PubChem CID 40880801) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
PubChem CID40880801
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc([C@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23N3O2/c1-29-19-13-11-17(12-14-19)21(22-16-25-23-10-6-5-9-20(22)23)15-26-24(28)27-18-7-3-2-4-8-18/h2-14,16,21,25H,15H2,1H3,(H2,26,27,28)/t21-/m0/s1
InChIKeyMOWXBGNGGFBRME-NRFANRHFSA-N
XLogP5.13
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea (CID 40880801) is 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea is COc1ccc([C@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea?
The InChIKey is MOWXBGNGGFBRME-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-29-19-13-11-17(12-14-19)21(22-16-25-23-10-6-5-9-20(22)23)15-26-24(28)27-18-7-3-2-4-8-18/h2-14,16,21,25H,15H2,1H3,(H2,26,27,28)/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea?
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea has a molecular weight of 385.47 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 40880801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).