(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione

C31H41N3O4 — CID 152947014

IUPAC(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)CC(=O)C(C)(C)N)CC2)C1=O
InChIInChI=1S/C31H41N3O4/c1-30(2,32)27(35)19-25(22-38-21-23-11-6-4-7-12-23)28(36)34-17-10-15-31(16-18-34)26(20-33(3)29(31)37)24-13-8-5-9-14-24/h4-9,11-14,25-26H,10,15-22,32H2,1-3H3/t25-,26?,31?/m1/s1
InChIKeyUNYNYYUFLBDIGW-ANTXIRGESA-N
MW519.69 g/mol
LogP3.77
Rot. Bonds9

About (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione

(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione (PubChem CID 152947014) has the molecular formula C31H41N3O4 and a molecular weight of 519.69 g/mol. Its IUPAC name is (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione.

Molecular Properties

Compound Name(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione
PubChem CID152947014
Molecular FormulaC31H41N3O4
Molecular Weight519.69 g/mol
Exact Mass519.31
IUPAC Name(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)CC(=O)C(C)(C)N)CC2)C1=O
InChIInChI=1S/C31H41N3O4/c1-30(2,32)27(35)19-25(22-38-21-23-11-6-4-7-12-23)28(36)34-17-10-15-31(16-18-34)26(20-33(3)29(31)37)24-13-8-5-9-14-24/h4-9,11-14,25-26H,10,15-22,32H2,1-3H3/t25-,26?,31?/m1/s1
InChIKeyUNYNYYUFLBDIGW-ANTXIRGESA-N
XLogP3.77
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-5-amino-5-methyl-1-[(4S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-2-(phenylmethoxymethyl)heptane-1,4-dione
CID 161495664
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 71060255
2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060417
2-amino-2-methyl-N-[1-oxo-1-[(4S,5R)-1-oxo-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-9-yl]-3-phenylmethoxypropan-2-yl]propanamide
CID 71060571
2-amino-N-[(2S)-3-benzylsulfanyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060201
(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide
CID 140601128
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
2-amino-2-methyl-N-[(E,2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpent-4-en-2-yl]propanamide
CID 89239216
2-amino-2-methyl-N-[(2R)-1-[(5S)-2-methyl-1-oxo-3-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 90010435
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
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione?
The IUPAC name of (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione (CID 152947014) is (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione.
What is the SMILES notation for (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione?
The canonical SMILES for (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione is CN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](COCc3ccccc3)CC(=O)C(C)(C)N)CC2)C1=O.
What is the InChIKey of (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione?
The InChIKey is UNYNYYUFLBDIGW-ANTXIRGESA-N. The full InChI is InChI=1S/C31H41N3O4/c1-30(2,32)27(35)19-25(22-38-21-23-11-6-4-7-12-23)28(36)34-17-10-15-31(16-18-34)26(20-33(3)29(31)37)24-13-8-5-9-14-24/h4-9,11-14,25-26H,10,15-22,32H2,1-3H3/t25-,26?,31?/m1/s1.
What are the key properties of (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione?
(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione has a molecular weight of 519.69 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione is sourced from PubChem (CID 152947014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).