N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid

C34H40F3N3O4 — CID 53385129

IUPACN-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCCCCCN(C(=O)CCc1cn(CCCCC)c2ccccc12)c1ccc(Oc2cccnc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H39N3O2.C2HF3O2/c1-3-5-9-22-34-25-26(30-13-7-8-14-31(30)34)15-20-32(36)35(23-10-6-4-2)27-16-18-28(19-17-27)37-29-12-11-21-33-24-29;3-2(4,5)1(6)7/h7-8,11-14,16-19,21,24-25H,3-6,9-10,15,20,22-23H2,1-2H3;(H,6,7)
InChIKeySYBRLIWKAXZDKJ-UHFFFAOYSA-N
MW611.71 g/mol
LogP8.81
Rot. Bonds14

About N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid

N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 53385129) has the molecular formula C34H40F3N3O4 and a molecular weight of 611.71 g/mol. Its IUPAC name is N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID53385129
Molecular FormulaC34H40F3N3O4
Molecular Weight611.71 g/mol
Exact Mass611.30
IUPAC NameN-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCCCCCN(C(=O)CCc1cn(CCCCC)c2ccccc12)c1ccc(Oc2cccnc2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C32H39N3O2.C2HF3O2/c1-3-5-9-22-34-25-26(30-13-7-8-14-31(30)34)15-20-32(36)35(23-10-6-4-2)27-16-18-28(19-17-27)37-29-12-11-21-33-24-29;3-2(4,5)1(6)7/h7-8,11-14,16-19,21,24-25H,3-6,9-10,15,20,22-23H2,1-2H3;(H,6,7)
InChIKeySYBRLIWKAXZDKJ-UHFFFAOYSA-N
XLogP8.81
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid 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

N,1-diethyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385019
1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385071
2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 53385203
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
N-[2-(dimethylamino)ethyl]-2-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46966320
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
2-[(4-methoxyphenyl)methyl-[3-(1-propylindol-3-yl)propanoyl]amino]acetic acid
CID 129457824
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
N-[2-(1-butylindol-3-yl)ethyl]pyridin-4-amine
CID 67761512
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-3-yl]propanoic acid
CID 131734474

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid (CID 53385129) is N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid is CCCCCN(C(=O)CCc1cn(CCCCC)c2ccccc12)c1ccc(Oc2cccnc2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is SYBRLIWKAXZDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2.C2HF3O2/c1-3-5-9-22-34-25-26(30-13-7-8-14-31(30)34)15-20-32(36)35(23-10-6-4-2)27-16-18-28(19-17-27)37-29-12-11-21-33-24-29;3-2(4,5)1(6)7/h7-8,11-14,16-19,21,24-25H,3-6,9-10,15,20,22-23H2,1-2H3;(H,6,7).
What are the key properties of N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid?
N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 611.71 g/mol, XLogP of 8.81, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53385129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).