1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea

C20H23N3O4 — CID 90535330

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCC(O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-23-12-15(14-6-4-5-7-17(14)23)18(24)11-21-20(25)22-16-9-8-13(26-2)10-19(16)27-3/h4-10,12,18,24H,11H2,1-3H3,(H2,21,22,25)
InChIKeyMQTIBBFDHQFIHQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.05
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (PubChem CID 90535330) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
PubChem CID90535330
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCC(O)c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-23-12-15(14-6-4-5-7-17(14)23)18(24)11-21-20(25)22-16-9-8-13(26-2)10-19(16)27-3/h4-10,12,18,24H,11H2,1-3H3,(H2,21,22,25)
InChIKeyMQTIBBFDHQFIHQ-UHFFFAOYSA-N
XLogP3.05
TPSA84.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 90535201
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535325
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97414088
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 90535159
1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918061
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (CID 90535330) is 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is COc1ccc(NC(=O)NCC(O)c2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The InChIKey is MQTIBBFDHQFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23-12-15(14-6-4-5-7-17(14)23)18(24)11-21-20(25)22-16-9-8-13(26-2)10-19(16)27-3/h4-10,12,18,24H,11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea has a molecular weight of 369.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is sourced from PubChem (CID 90535330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).