N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C18H24N2O3 — CID 95617271

IUPACN-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)c1
InChIInChI=1S/C18H24N2O3/c1-12-4-5-15(13(2)10-12)11-14(3)19-16(21)8-9-20-17(22)6-7-18(20)23/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMXVSFVDKAVZVAN-CQSZACIVSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds6

About N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 95617271) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID95617271
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)c1
InChIInChI=1S/C18H24N2O3/c1-12-4-5-15(13(2)10-12)11-14(3)19-16(21)8-9-20-17(22)6-7-18(20)23/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyMXVSFVDKAVZVAN-CQSZACIVSA-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-[1-(3,5-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 71998957
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 56803675
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
[2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid
CID 153158776
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 95617271) is N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is Cc1ccc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)c1.
What is the InChIKey of N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is MXVSFVDKAVZVAN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-4-5-15(13(2)10-12)11-14(3)19-16(21)8-9-20-17(22)6-7-18(20)23/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[(2R)-1-(2,4-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-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 95617271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).