2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C28H34N4O4 — CID 22862453

IUPAC2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(O)c1ccccc1O2
InChIInChI=1S/C28H34N4O4/c1-27(2,29)26(35)31-22(15-18-17-30-21-9-5-3-7-19(18)21)25(34)32-13-11-28(12-14-32)16-23(33)20-8-4-6-10-24(20)36-28/h3-10,17,22-23,30,33H,11-16,29H2,1-2H3,(H,31,35)/t22-,23?/m1/s1
InChIKeyPUVBQTVEVHFOGU-WTQRLHSKSA-N
MW490.60 g/mol
LogP2.81
Rot. Bonds5

About 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 22862453) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID22862453
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(O)c1ccccc1O2
InChIInChI=1S/C28H34N4O4/c1-27(2,29)26(35)31-22(15-18-17-30-21-9-5-3-7-19(18)21)25(34)32-13-11-28(12-14-32)16-23(33)20-8-4-6-10-24(20)36-28/h3-10,17,22-23,30,33H,11-16,29H2,1-2H3,(H,31,35)/t22-,23?/m1/s1
InChIKeyPUVBQTVEVHFOGU-WTQRLHSKSA-N
XLogP2.81
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide 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-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 22862453) is 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(O)c1ccccc1O2.
What is the InChIKey of 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is PUVBQTVEVHFOGU-WTQRLHSKSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-27(2,29)26(35)31-22(15-18-17-30-21-9-5-3-7-19(18)21)25(34)32-13-11-28(12-14-32)16-23(33)20-8-4-6-10-24(20)36-28/h3-10,17,22-23,30,33H,11-16,29H2,1-2H3,(H,31,35)/t22-,23?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 490.60 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22862453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).