N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

C18H25N3O2 — CID 119615757

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NC(CN)C3CC3)C2=O)c1
InChIInChI=1S/C18H25N3O2/c1-11-7-12(2)9-14(8-11)21-6-5-15(18(21)23)17(22)20-16(10-19)13-3-4-13/h7-9,13,15-16H,3-6,10,19H2,1-2H3,(H,20,22)
InChIKeyCGETUMQUSFGPHT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.51
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119615757) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119615757
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NC(CN)C3CC3)C2=O)c1
InChIInChI=1S/C18H25N3O2/c1-11-7-12(2)9-14(8-11)21-6-5-15(18(21)23)17(22)20-16(10-19)13-3-4-13/h7-9,13,15-16H,3-6,10,19H2,1-2H3,(H,20,22)
InChIKeyCGETUMQUSFGPHT-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615310
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119614281
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(3,5-dimethylphenyl)-N-[2-(2-hydroxyethyl)pentyl]-2-oxopyrrolidine-3-carboxamide
CID 111697394
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119616744

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 119615757) is N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NC(CN)C3CC3)C2=O)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CGETUMQUSFGPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-7-12(2)9-14(8-11)21-6-5-15(18(21)23)17(22)20-16(10-19)13-3-4-13/h7-9,13,15-16H,3-6,10,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119615757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).