2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

C28H28N6O — CID 23648233

IUPAC2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C28H28N6O/c29-18-27(35)31-25(17-21-19-30-24-14-8-7-13-23(21)24)28-33-32-26(16-15-20-9-3-1-4-10-20)34(28)22-11-5-2-6-12-22/h1-14,19,25,30H,15-18,29H2,(H,31,35)/t25-/m1/s1
InChIKeyMNJBFWNIEUCCFS-RUZDIDTESA-N
MW464.57 g/mol
LogP3.89
Rot. Bonds9

About 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 23648233) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID23648233
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C28H28N6O/c29-18-27(35)31-25(17-21-19-30-24-14-8-7-13-23(21)24)28-33-32-26(16-15-20-9-3-1-4-10-20)34(28)22-11-5-2-6-12-22/h1-14,19,25,30H,15-18,29H2,(H,31,35)/t25-/m1/s1
InChIKeyMNJBFWNIEUCCFS-RUZDIDTESA-N
XLogP3.89
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide 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-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CID 23648233) is 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is MNJBFWNIEUCCFS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28N6O/c29-18-27(35)31-25(17-21-19-30-24-14-8-7-13-23(21)24)28-33-32-26(16-15-20-9-3-1-4-10-20)34(28)22-11-5-2-6-12-22/h1-14,19,25,30H,15-18,29H2,(H,31,35)/t25-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 23648233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).