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

C30H37F3N4O4 — CID 71060571

IUPAC2-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
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC[C@@]2(C1)C(=O)N(CC(F)(F)F)C[C@H]2c1ccccc1
InChIInChI=1S/C30H37F3N4O4/c1-28(2,34)26(39)35-24(18-41-17-21-10-5-3-6-11-21)25(38)36-15-9-14-29(19-36)23(22-12-7-4-8-13-22)16-37(27(29)40)20-30(31,32)33/h3-8,10-13,23-24H,9,14-20,34H2,1-2H3,(H,35,39)/t23-,24?,29-/m0/s1
InChIKeyLRJAOLPSVZEOTC-AFBHAILDSA-N
MW574.64 g/mol
LogP3.22
Rot. Bonds9

About 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

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 (PubChem CID 71060571) has the molecular formula C30H37F3N4O4 and a molecular weight of 574.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID71060571
Molecular FormulaC30H37F3N4O4
Molecular Weight574.64 g/mol
Exact Mass574.28
IUPAC Name2-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
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC[C@@]2(C1)C(=O)N(CC(F)(F)F)C[C@H]2c1ccccc1
InChIInChI=1S/C30H37F3N4O4/c1-28(2,34)26(39)35-24(18-41-17-21-10-5-3-6-11-21)25(38)36-15-9-14-29(19-36)23(22-12-7-4-8-13-22)16-37(27(29)40)20-30(31,32)33/h3-8,10-13,23-24H,9,14-20,34H2,1-2H3,(H,35,39)/t23-,24?,29-/m0/s1
InChIKeyLRJAOLPSVZEOTC-AFBHAILDSA-N
XLogP3.22
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.64
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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-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-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
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
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
N-[(2R)-1-[(3aS)-3a-benzyl-2-methyl-3-oxo-4,6,7,7a-tetrahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
CID 59904427
tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-3-oxo-1-phenyl-2,8-diazaspiro[3.5]nonan-8-yl)-1-oxo-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060399
2-amino-N-[1-[3-benzyl-3-(dimethylaminocarbamoyl)piperidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 18365182
(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
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
N-[(2R)-1-[(3aS)-1,3-dioxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide
CID 147772911

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC[C@@]2(C1)C(=O)N(CC(F)(F)F)C[C@H]2c1ccccc1.
What is the InChIKey of 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?
The InChIKey is LRJAOLPSVZEOTC-AFBHAILDSA-N. The full InChI is InChI=1S/C30H37F3N4O4/c1-28(2,34)26(39)35-24(18-41-17-21-10-5-3-6-11-21)25(38)36-15-9-14-29(19-36)23(22-12-7-4-8-13-22)16-37(27(29)40)20-30(31,32)33/h3-8,10-13,23-24H,9,14-20,34H2,1-2H3,(H,35,39)/t23-,24?,29-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 574.64 g/mol, XLogP of 3.22, 9 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-[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 is sourced from PubChem (CID 71060571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).