[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate

C28H37N3O5 — CID 15617963

IUPAC[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate
SMILESCCN(CC)CC(O)CNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C28H37N3O5/c1-7-30(8-2)18-20(32)17-29-26(33)24-25(36-27(34)28(3,4)5)22-11-9-10-12-23(22)31(24)19-13-15-21(35-6)16-14-19/h9-16,20,32H,7-8,17-18H2,1-6H3,(H,29,33)
InChIKeySYWYBNNAQUUMPV-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.02
Rot. Bonds10

About [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate

[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate (PubChem CID 15617963) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate
PubChem CID15617963
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Name[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate
SMILESCCN(CC)CC(O)CNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C28H37N3O5/c1-7-30(8-2)18-20(32)17-29-26(33)24-25(36-27(34)28(3,4)5)22-11-9-10-12-23(22)31(24)19-13-15-21(35-6)16-14-19/h9-16,20,32H,7-8,17-18H2,1-6H3,(H,29,33)
InChIKeySYWYBNNAQUUMPV-UHFFFAOYSA-N
XLogP4.02
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate (CID 15617963) is [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate is CCN(CC)CC(O)CNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(OC)cc1.
What is the InChIKey of [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate?
The InChIKey is SYWYBNNAQUUMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-7-30(8-2)18-20(32)17-29-26(33)24-25(36-27(34)28(3,4)5)22-11-9-10-12-23(22)31(24)19-13-15-21(35-6)16-14-19/h9-16,20,32H,7-8,17-18H2,1-6H3,(H,29,33).
What are the key properties of [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate?
[2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate has a molecular weight of 495.62 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-(4-methoxyphenyl)indol-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 15617963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).