2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide

C28H32N4O4 — CID 10458218

IUPAC2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C28H32N4O4/c1-27(2,29)26(35)31-22(14-18-16-30-21-10-5-3-8-19(18)21)25(34)32-13-7-12-28(17-32)15-23(33)20-9-4-6-11-24(20)36-28/h3-6,8-11,16,22,30H,7,12-15,17,29H2,1-2H3,(H,31,35)/t22-,28?/m1/s1
InChIKeyKXMBIAQXUZZYJL-WZOMIXFGSA-N
MW488.59 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide (PubChem CID 10458218) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide
PubChem CID10458218
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C28H32N4O4/c1-27(2,29)26(35)31-22(14-18-16-30-21-10-5-3-8-19(18)21)25(34)32-13-7-12-28(17-32)15-23(33)20-9-4-6-11-24(20)36-28/h3-6,8-11,16,22,30H,7,12-15,17,29H2,1-2H3,(H,31,35)/t22-,28?/m1/s1
InChIKeyKXMBIAQXUZZYJL-WZOMIXFGSA-N
XLogP2.96
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide (CID 10458218) is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide?
The InChIKey is KXMBIAQXUZZYJL-WZOMIXFGSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-27(2,29)26(35)31-22(14-18-16-30-21-10-5-3-8-19(18)21)25(34)32-13-7-12-28(17-32)15-23(33)20-9-4-6-11-24(20)36-28/h3-6,8-11,16,22,30H,7,12-15,17,29H2,1-2H3,(H,31,35)/t22-,28?/m1/s1.
What are the key properties of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide has a molecular weight of 488.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 10458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).