4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide

C20H30N2O2 — CID 20905724

IUPAC4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)C(CC(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H30N2O2/c1-5-11-21(12-6-2)20(24)18(13-15(3)4)22-14-16-9-7-8-10-17(16)19(22)23/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyIMFALIXEEHLQIE-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.71
Rot. Bonds8

About 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide

4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide (PubChem CID 20905724) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide.

Molecular Properties

Compound Name4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide
PubChem CID20905724
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)C(CC(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H30N2O2/c1-5-11-21(12-6-2)20(24)18(13-15(3)4)22-14-16-9-7-8-10-17(16)19(22)23/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyIMFALIXEEHLQIE-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 3711420
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 40542427
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
2-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 20905762
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
2-[1-(4-benzylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 20905753
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 92688715
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide?
The IUPAC name of 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide (CID 20905724) is 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide.
What is the SMILES notation for 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide?
The canonical SMILES for 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide is CCCN(CCC)C(=O)C(CC(C)C)N1Cc2ccccc2C1=O.
What is the InChIKey of 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide?
The InChIKey is IMFALIXEEHLQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-11-21(12-6-2)20(24)18(13-15(3)4)22-14-16-9-7-8-10-17(16)19(22)23/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide?
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide has a molecular weight of 330.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide is sourced from PubChem (CID 20905724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).