N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

C25H27N3O4 — CID 51973033

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C25H27N3O4/c1-3-15(2)22(14-29)27-23(30)16-8-9-19-20(12-16)25(32)28(24(19)31)11-10-17-13-26-21-7-5-4-6-18(17)21/h4-9,12-13,15,22,26,29H,3,10-11,14H2,1-2H3,(H,27,30)/t15-,22-/m0/s1
InChIKeyAPNHUKFHGUPREJ-NYHFZMIOSA-N
MW433.51 g/mol
LogP3.14
Rot. Bonds8

About N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 51973033) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID51973033
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C25H27N3O4/c1-3-15(2)22(14-29)27-23(30)16-8-9-19-20(12-16)25(32)28(24(19)31)11-10-17-13-26-21-7-5-4-6-18(17)21/h4-9,12-13,15,22,26,29H,3,10-11,14H2,1-2H3,(H,27,30)/t15-,22-/m0/s1
InChIKeyAPNHUKFHGUPREJ-NYHFZMIOSA-N
XLogP3.14
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42651933
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873798
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
(2S)-2-[[4-amino-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 70696339
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
2-[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752637
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 51973033) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is CC[C@H](C)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is APNHUKFHGUPREJ-NYHFZMIOSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-15(2)22(14-29)27-23(30)16-8-9-19-20(12-16)25(32)28(24(19)31)11-10-17-13-26-21-7-5-4-6-18(17)21/h4-9,12-13,15,22,26,29H,3,10-11,14H2,1-2H3,(H,27,30)/t15-,22-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 51973033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).