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

C19H24N2O3 — CID 4779528

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide
SMILESCC1CCCCC1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O3/c1-13-7-2-5-10-16(13)20-17(22)11-6-12-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3,(H,20,22)
InChIKeyXTVXPMSJMFBVSF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.76
Rot. Bonds5

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

4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide (PubChem CID 4779528) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide
PubChem CID4779528
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide
SMILESCC1CCCCC1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O3/c1-13-7-2-5-10-16(13)20-17(22)11-6-12-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3,(H,20,22)
InChIKeyXTVXPMSJMFBVSF-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.76
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

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
Itareparib
CID 73774960
U 93385
CID 132792
(R)-Thalidomide
CID 75792

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide (CID 4779528) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide is CC1CCCCC1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide?
The InChIKey is XTVXPMSJMFBVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-7-2-5-10-16(13)20-17(22)11-6-12-21-18(23)14-8-3-4-9-15(14)19(21)24/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3,(H,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide has a molecular weight of 328.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 4779528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).