N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C18H24N2O3 — CID 71998957

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C18H24N2O3/c1-12-8-13(2)10-15(9-12)11-14(3)19-16(21)6-7-20-17(22)4-5-18(20)23/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)
InChIKeyHIJAEZJLMUJUOG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 71998957) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID71998957
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C18H24N2O3/c1-12-8-13(2)10-15(9-12)11-14(3)19-16(21)6-7-20-17(22)4-5-18(20)23/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)
InChIKeyHIJAEZJLMUJUOG-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
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-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95617271
4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 122142633
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
(2R)-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926518
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
CID 119588587
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47071121

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 71998957) is N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is Cc1cc(C)cc(CC(C)NC(=O)CCN2C(=O)CCC2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is HIJAEZJLMUJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-8-13(2)10-15(9-12)11-14(3)19-16(21)6-7-20-17(22)4-5-18(20)23/h8-10,14H,4-7,11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71998957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).