N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide

C25H27N5O4 — CID 166794995

IUPACN-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2c(OCc3cn([C@@H](C)c4ccccc4)nn3)cccc2C1=O
InChIInChI=1S/C25H27N5O4/c1-17(18-8-4-3-5-9-18)30-14-19(27-28-30)16-34-23-12-6-10-20-21(23)15-29(25(20)33)22(11-7-13-31)24(32)26-2/h3-6,8-10,12-14,17,22H,7,11,15-16H2,1-2H3,(H,26,32)/t17-,22?/m0/s1
InChIKeySYWRJQOYEVAKDT-LBOXEOMUSA-N
MW461.52 g/mol
LogP2.52
Rot. Bonds10

About N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide

N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide (PubChem CID 166794995) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide
PubChem CID166794995
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2c(OCc3cn([C@@H](C)c4ccccc4)nn3)cccc2C1=O
InChIInChI=1S/C25H27N5O4/c1-17(18-8-4-3-5-9-18)30-14-19(27-28-30)16-34-23-12-6-10-20-21(23)15-29(25(20)33)22(11-7-13-31)24(32)26-2/h3-6,8-10,12-14,17,22H,7,11,15-16H2,1-2H3,(H,26,32)/t17-,22?/m0/s1
InChIKeySYWRJQOYEVAKDT-LBOXEOMUSA-N
XLogP2.52
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[7-[[1-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166794997
2-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130311984
N-methyl-2-[7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170121129
2-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 138526825
2-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 129236667
2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
CID 144752994
2-[7-[5-[[3-(3-chlorophenyl)-3-cyanopropyl]-ethylamino]pentoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701176
2-[7-[2-[[(3R)-3-(2-chlorophenyl)-3-cyanopropyl]-ethylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701164
2-[7-[4-(4-cyanopiperidin-1-yl)-4-oxobutoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701320
2-[7-[(2-fluoro-3-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130389143
2-[7-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylhex-5-enamide
CID 170444137
4-[7-[(Z)-3-amino-4-(N-aminoanilino)but-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-(methylamino)hex-5-enal
CID 166795143

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide?
The IUPAC name of N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide (CID 166794995) is N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide.
What is the SMILES notation for N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide?
The canonical SMILES for N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide is CNC(=O)C(CCC=O)N1Cc2c(OCc3cn([C@@H](C)c4ccccc4)nn3)cccc2C1=O.
What is the InChIKey of N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide?
The InChIKey is SYWRJQOYEVAKDT-LBOXEOMUSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-17(18-8-4-3-5-9-18)30-14-19(27-28-30)16-34-23-12-6-10-20-21(23)15-29(25(20)33)22(11-7-13-31)24(32)26-2/h3-6,8-10,12-14,17,22H,7,11,15-16H2,1-2H3,(H,26,32)/t17-,22?/m0/s1.
What are the key properties of N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide?
N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide has a molecular weight of 461.52 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-2-[3-oxo-7-[[1-[(1S)-1-phenylethyl]triazol-4-yl]methoxy]-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 166794995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).