2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide

C31H41N5O3 — CID 71109248

IUPAC2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](CC3CN(C)c4ccccc43)NC(=O)C(C)(C)N)C2)C1=O
InChIInChI=1S/C31H41N5O3/c1-30(2,32)28(38)33-25(17-22-18-34(3)26-14-9-8-13-23(22)26)27(37)36-16-10-15-31(20-36)24(19-35(4)29(31)39)21-11-6-5-7-12-21/h5-9,11-14,22,24-25H,10,15-20,32H2,1-4H3,(H,33,38)/t22?,24?,25-,31?/m1/s1
InChIKeyKGQRSJOQSXAZHV-XAEOBLHYSA-N
MW531.70 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide (PubChem CID 71109248) has the molecular formula C31H41N5O3 and a molecular weight of 531.70 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide
PubChem CID71109248
Molecular FormulaC31H41N5O3
Molecular Weight531.70 g/mol
Exact Mass531.32
IUPAC Name2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](CC3CN(C)c4ccccc43)NC(=O)C(C)(C)N)C2)C1=O
InChIInChI=1S/C31H41N5O3/c1-30(2,32)28(38)33-25(17-22-18-34(3)26-14-9-8-13-23(22)26)27(37)36-16-10-15-31(20-36)24(19-35(4)29(31)39)21-11-6-5-7-12-21/h5-9,11-14,22,24-25H,10,15-20,32H2,1-4H3,(H,33,38)/t22?,24?,25-,31?/m1/s1
InChIKeyKGQRSJOQSXAZHV-XAEOBLHYSA-N
XLogP2.70
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.70
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide (CID 71109248) is 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide is CN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](CC3CN(C)c4ccccc43)NC(=O)C(C)(C)N)C2)C1=O.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide?
The InChIKey is KGQRSJOQSXAZHV-XAEOBLHYSA-N. The full InChI is InChI=1S/C31H41N5O3/c1-30(2,32)28(38)33-25(17-22-18-34(3)26-14-9-8-13-23(22)26)27(37)36-16-10-15-31(20-36)24(19-35(4)29(31)39)21-11-6-5-7-12-21/h5-9,11-14,22,24-25H,10,15-20,32H2,1-4H3,(H,33,38)/t22?,24?,25-,31?/m1/s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide?
2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide has a molecular weight of 531.70 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 71109248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).