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

C30H38N4O3 — CID 89239216

IUPAC2-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
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](C/C=C/c3ccccc3)NC(=O)C(C)(C)N)C2)C1=O
InChIInChI=1S/C30H38N4O3/c1-29(2,31)27(36)32-25(17-10-14-22-12-6-4-7-13-22)26(35)34-19-11-18-30(21-34)24(20-33(3)28(30)37)23-15-8-5-9-16-23/h4-10,12-16,24-25H,11,17-21,31H2,1-3H3,(H,32,36)/b14-10+/t24?,25-,30?/m1/s1
InChIKeyCJCBBGPIVUNODQ-DZAXNQQVSA-N
MW502.66 g/mol
LogP3.18
Rot. Bonds7

About 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

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 (PubChem CID 89239216) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID89239216
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC Name2-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
SMILESCN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](C/C=C/c3ccccc3)NC(=O)C(C)(C)N)C2)C1=O
InChIInChI=1S/C30H38N4O3/c1-29(2,31)27(36)32-25(17-10-14-22-12-6-4-7-13-22)26(35)34-19-11-18-30(21-34)24(20-33(3)28(30)37)23-15-8-5-9-16-23/h4-10,12-16,24-25H,11,17-21,31H2,1-3H3,(H,32,36)/b14-10+/t24?,25-,30?/m1/s1
InChIKeyCJCBBGPIVUNODQ-DZAXNQQVSA-N
XLogP3.18
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[(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
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-N-[(2R)-3-(1H-indol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060287
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-[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
tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060357
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
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
(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
(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 140624874

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC(c2ccccc2)C2(CCCN(C(=O)[C@@H](C/C=C/c3ccccc3)NC(=O)C(C)(C)N)C2)C1=O.
What is the InChIKey of 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?
The InChIKey is CJCBBGPIVUNODQ-DZAXNQQVSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-29(2,31)27(36)32-25(17-10-14-22-12-6-4-7-13-22)26(35)34-19-11-18-30(21-34)24(20-33(3)28(30)37)23-15-8-5-9-16-23/h4-10,12-16,24-25H,11,17-21,31H2,1-3H3,(H,32,36)/b14-10+/t24?,25-,30?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 502.66 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89239216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).