4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide

C26H31N7O3 — CID 14753055

IUPAC4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3OC)c2c1
InChIInChI=1S/C26H31N7O3/c1-4-6-7-17(5-2)24(34)27-21-11-10-18-12-13-33(22(18)15-21)16-20-9-8-19(14-23(20)36-3)25(35)28-26-29-31-32-30-26/h8-15,17H,4-7,16H2,1-3H3,(H,27,34)(H2,28,29,30,31,32,35)
InChIKeyYDNSVRRNOWIEJT-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.62
Rot. Bonds11

About 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide

4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 14753055) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID14753055
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3OC)c2c1
InChIInChI=1S/C26H31N7O3/c1-4-6-7-17(5-2)24(34)27-21-11-10-18-12-13-33(22(18)15-21)16-20-9-8-19(14-23(20)36-3)25(35)28-26-29-31-32-30-26/h8-15,17H,4-7,16H2,1-3H3,(H,27,34)(H2,28,29,30,31,32,35)
InChIKeyYDNSVRRNOWIEJT-UHFFFAOYSA-N
XLogP4.62
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide 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 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide (CID 14753055) is 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide is CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3OC)c2c1.
What is the InChIKey of 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is YDNSVRRNOWIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-4-6-7-17(5-2)24(34)27-21-11-10-18-12-13-33(22(18)15-21)16-20-9-8-19(14-23(20)36-3)25(35)28-26-29-31-32-30-26/h8-15,17H,4-7,16H2,1-3H3,(H,27,34)(H2,28,29,30,31,32,35).
What are the key properties of 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide?
4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 489.58 g/mol, XLogP of 4.62, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 14753055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).