N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

C22H22N2O3 — CID 5024298

IUPACN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c25-20(23-16-10-4-5-11-16)19(14-15-8-2-1-3-9-15)24-21(26)17-12-6-7-13-18(17)22(24)27/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,23,25)
InChIKeyNCQCQNIBWYRQQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.95
Rot. Bonds5

About N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (PubChem CID 5024298) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
PubChem CID5024298
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c25-20(23-16-10-4-5-11-16)19(14-15-8-2-1-3-9-15)24-21(26)17-12-6-7-13-18(17)22(24)27/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,23,25)
InChIKeyNCQCQNIBWYRQQI-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 3890991
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108932962
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)-3-(3-nitrophenyl)propanamide
CID 23789936
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-N-cyclohexyl-2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 11893024
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide (CID 5024298) is N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is O=C(NC1CCCC1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
The InChIKey is NCQCQNIBWYRQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-20(23-16-10-4-5-11-16)19(14-15-8-2-1-3-9-15)24-21(26)17-12-6-7-13-18(17)22(24)27/h1-3,6-9,12-13,16,19H,4-5,10-11,14H2,(H,23,25).
What are the key properties of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide?
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide has a molecular weight of 362.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 5024298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).