N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide

C16H19N3O4 — CID 125135902

IUPACN-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCc1ccc([C@]2(C)CC(=O)N(CCC(=O)NC(N)=O)C2=O)cc1
InChIInChI=1S/C16H19N3O4/c1-10-3-5-11(6-4-10)16(2)9-13(21)19(14(16)22)8-7-12(20)18-15(17)23/h3-6H,7-9H2,1-2H3,(H3,17,18,20,23)/t16-/m0/s1
InChIKeyVRTBZIVUCPHYAG-INIZCTEOSA-N
MW317.35 g/mol
LogP0.60
Rot. Bonds4

About N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide

N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 125135902) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID125135902
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCc1ccc([C@]2(C)CC(=O)N(CCC(=O)NC(N)=O)C2=O)cc1
InChIInChI=1S/C16H19N3O4/c1-10-3-5-11(6-4-10)16(2)9-13(21)19(14(16)22)8-7-12(20)18-15(17)23/h3-6H,7-9H2,1-2H3,(H3,17,18,20,23)/t16-/m0/s1
InChIKeyVRTBZIVUCPHYAG-INIZCTEOSA-N
XLogP0.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 58418001
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide
CID 86207634
3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95860275
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
CID 127677869
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
methyl 4-[[2-[(3S)-3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 95788796
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86882518

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide (CID 125135902) is N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide is Cc1ccc([C@]2(C)CC(=O)N(CCC(=O)NC(N)=O)C2=O)cc1.
What is the InChIKey of N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is VRTBZIVUCPHYAG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-3-5-11(6-4-10)16(2)9-13(21)19(14(16)22)8-7-12(20)18-15(17)23/h3-6H,7-9H2,1-2H3,(H3,17,18,20,23)/t16-/m0/s1.
What are the key properties of N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide?
N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 317.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[(3S)-3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 125135902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).