[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate

C24H29N3O3 — CID 13344650

IUPAC[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate
SMILESCCN(CC)CCCNC(=O)c1c(OC(C)=O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-4-26(5-2)17-11-16-25-24(29)22-23(30-18(3)28)20-14-9-10-15-21(20)27(22)19-12-7-6-8-13-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,25,29)
InChIKeyRJRFJHHZQBUQKD-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.02
Rot. Bonds9

About [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate

[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate (PubChem CID 13344650) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate.

Molecular Properties

Compound Name[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate
PubChem CID13344650
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate
SMILESCCN(CC)CCCNC(=O)c1c(OC(C)=O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-4-26(5-2)17-11-16-25-24(29)22-23(30-18(3)28)20-14-9-10-15-21(20)27(22)19-12-7-6-8-13-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,25,29)
InChIKeyRJRFJHHZQBUQKD-UHFFFAOYSA-N
XLogP4.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate?
The IUPAC name of [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate (CID 13344650) is [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate.
What is the SMILES notation for [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate?
The canonical SMILES for [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate is CCN(CC)CCCNC(=O)c1c(OC(C)=O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate?
The InChIKey is RJRFJHHZQBUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-26(5-2)17-11-16-25-24(29)22-23(30-18(3)28)20-14-9-10-15-21(20)27(22)19-12-7-6-8-13-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H,25,29).
What are the key properties of [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate?
[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate has a molecular weight of 407.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate is sourced from PubChem (CID 13344650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).