(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide

C24H26N2O3 — CID 2233436

IUPAC(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-2-19(16-9-5-3-6-10-16)22(27)25-17-13-14-20-21(15-17)24(29)26(23(20)28)18-11-7-4-8-12-18/h3,5-6,9-10,13-15,18-19H,2,4,7-8,11-12H2,1H3,(H,25,27)
InChIKeyMVTYCZQTRVLMDW-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.75
Rot. Bonds5

About (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide

(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide (PubChem CID 2233436) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
PubChem CID2233436
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-2-19(16-9-5-3-6-10-16)22(27)25-17-13-14-20-21(15-17)24(29)26(23(20)28)18-11-7-4-8-12-18/h3,5-6,9-10,13-15,18-19H,2,4,7-8,11-12H2,1H3,(H,25,27)
InChIKeyMVTYCZQTRVLMDW-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
CID 2233800
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
CID 108874248
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
2-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 108873974

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide (CID 2233436) is (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1.
What is the InChIKey of (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide?
The InChIKey is MVTYCZQTRVLMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-19(16-9-5-3-6-10-16)22(27)25-17-13-14-20-21(15-17)24(29)26(23(20)28)18-11-7-4-8-12-18/h3,5-6,9-10,13-15,18-19H,2,4,7-8,11-12H2,1H3,(H,25,27).
What are the key properties of (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide?
(2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide has a molecular weight of 390.48 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-phenylbutanamide is sourced from PubChem (CID 2233436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).