2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide

C22H31N3O5 — CID 171788986

IUPAC2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2c(OCC(=O)N(CCC)CCC)cccc2C1=O
InChIInChI=1S/C22H31N3O5/c1-4-8-18(21(28)23-15-26)25-13-17-16(22(25)29)9-7-10-19(17)30-14-20(27)24(11-5-2)12-6-3/h7,9-10,15,18H,4-6,8,11-14H2,1-3H3,(H,23,26,28)
InChIKeyGOWFGZVXKQCUDP-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.11
Rot. Bonds12

About 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide

2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide (PubChem CID 171788986) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide.

Molecular Properties

Compound Name2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
PubChem CID171788986
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2c(OCC(=O)N(CCC)CCC)cccc2C1=O
InChIInChI=1S/C22H31N3O5/c1-4-8-18(21(28)23-15-26)25-13-17-16(22(25)29)9-7-10-19(17)30-14-20(27)24(11-5-2)12-6-3/h7,9-10,15,18H,4-6,8,11-14H2,1-3H3,(H,23,26,28)
InChIKeyGOWFGZVXKQCUDP-UHFFFAOYSA-N
XLogP2.11
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
4-[7-[(E)-2-(2-methylphenyl)but-2-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxohexanal
CID 170444810
N-methyl-2-[7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170121129
2-[7-[(Z)-2,5-dimethylidenehept-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxohexanamide;ethane
CID 142516207
2-[7-[2-[[(3R)-3-(2-chlorophenyl)-3-cyanopropyl]-ethylamino]ethoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701164
ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
CID 156711593
2-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130311984
2-[7-[4-[4-cyano-4-(3,5-dichlorophenyl)piperidin-1-yl]butyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166701198
2-[7-[5-[[3-(3-chlorophenyl)-3-cyanopropyl]-ethylamino]pentoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701176
2-[7-[4-(4-cyanopiperidin-1-yl)-4-oxobutoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701320
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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The IUPAC name of 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide (CID 171788986) is 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide.
What is the SMILES notation for 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The canonical SMILES for 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide is CCCC(C(=O)NC=O)N1Cc2c(OCC(=O)N(CCC)CCC)cccc2C1=O.
What is the InChIKey of 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The InChIKey is GOWFGZVXKQCUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-4-8-18(21(28)23-15-26)25-13-17-16(22(25)29)9-7-10-19(17)30-14-20(27)24(11-5-2)12-6-3/h7,9-10,15,18H,4-6,8,11-14H2,1-3H3,(H,23,26,28).
What are the key properties of 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide has a molecular weight of 417.51 g/mol, XLogP of 2.11, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide is sourced from PubChem (CID 171788986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).