N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C21H28N2O3 — CID 32919258

IUPACN-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)C1CCC(C)CC1)C2=O
InChIInChI=1S/C21H28N2O3/c1-14-6-9-16(10-7-14)22(3)19(24)5-4-12-23-20(25)17-11-8-15(2)13-18(17)21(23)26/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3
InChIKeyMAYDVLJLJIROJD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.41
Rot. Bonds5

About N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 32919258) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID32919258
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)C1CCC(C)CC1)C2=O
InChIInChI=1S/C21H28N2O3/c1-14-6-9-16(10-7-14)22(3)19(24)5-4-12-23-20(25)17-11-8-15(2)13-18(17)21(23)26/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3
InChIKeyMAYDVLJLJIROJD-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 32919258) is N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)C1CCC(C)CC1)C2=O.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is MAYDVLJLJIROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-6-9-16(10-7-14)22(3)19(24)5-4-12-23-20(25)17-11-8-15(2)13-18(17)21(23)26/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 32919258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).