N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide

C24H26N4O3 — CID 4034929

IUPACN-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCC(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O3/c1-14(2)11-20(23(30)27-13-21(25)29)28-22(16-8-3-4-9-17(16)24(28)31)18-12-26-19-10-6-5-7-15(18)19/h3-10,12,14,20,22,26H,11,13H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUGBOCKHLGUHNEB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.73
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide

N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide (PubChem CID 4034929) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide
PubChem CID4034929
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCC(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O3/c1-14(2)11-20(23(30)27-13-21(25)29)28-22(16-8-3-4-9-17(16)24(28)31)18-12-26-19-10-6-5-7-15(18)19/h3-10,12,14,20,22,26H,11,13H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUGBOCKHLGUHNEB-UHFFFAOYSA-N
XLogP2.73
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 4575435
(2R)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575753
(2S)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575761
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
CID 41168499
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
4-methyl-N-(3-methylbutyl)-2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanamide
CID 4590908
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(3-methylbutyl)acetamide
CID 45133702
methyl 2-[[2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]-4-methylpentanoate
CID 4212870
4-methyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]-N-phenylpentanamide
CID 4031498
3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 41133281

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide (CID 4034929) is N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide is CC(C)CC(C(=O)NCC(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide?
The InChIKey is UGBOCKHLGUHNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14(2)11-20(23(30)27-13-21(25)29)28-22(16-8-3-4-9-17(16)24(28)31)18-12-26-19-10-6-5-7-15(18)19/h3-10,12,14,20,22,26H,11,13H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide?
N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide has a molecular weight of 418.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 4034929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).