2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide

C24H26N2O3 — CID 3890991

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N2O3/c1-16-11-13-18(14-12-16)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-10,16,18,21H,11-15H2,1H3,(H,25,27)
InChIKeyYDNAPSUCDGWIBJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.59
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide (PubChem CID 3890991) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
PubChem CID3890991
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N2O3/c1-16-11-13-18(14-12-16)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-10,16,18,21H,11-15H2,1H3,(H,25,27)
InChIKeyYDNAPSUCDGWIBJ-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.59
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

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108932962
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-9-yl)-3-phenylpropanamide
CID 2920603
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]propanamide
CID 108556080
methyl N-[1-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]piperidin-4-yl]carbamate
CID 108564528
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide (CID 3890991) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide is CC1CCC(NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The InChIKey is YDNAPSUCDGWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-11-13-18(14-12-16)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-10,16,18,21H,11-15H2,1H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 3890991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).