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

C20H23N3O2 — CID 120568728

IUPACN-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)Nc3cc(N)ccc3C)C2=O)c1
InChIInChI=1S/C20H23N3O2/c1-12-8-13(2)10-16(9-12)23-7-6-17(20(23)25)19(24)22-18-11-15(21)5-4-14(18)3/h4-5,8-11,17H,6-7,21H2,1-3H3,(H,22,24)
InChIKeyCTELXJNSAVCPBN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.19
Rot. Bonds3

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

N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 120568728) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID120568728
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)Nc3cc(N)ccc3C)C2=O)c1
InChIInChI=1S/C20H23N3O2/c1-12-8-13(2)10-16(9-12)23-7-6-17(20(23)25)19(24)22-18-11-15(21)5-4-14(18)3/h4-5,8-11,17H,6-7,21H2,1-3H3,(H,22,24)
InChIKeyCTELXJNSAVCPBN-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
(3R)-N-[3-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94477713
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
N-(5-amino-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 120568574
N-(3-bromo-2-methylphenyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86882791

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 120568728) is N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)Nc3cc(N)ccc3C)C2=O)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CTELXJNSAVCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-8-13(2)10-16(9-12)23-7-6-17(20(23)25)19(24)22-18-11-15(21)5-4-14(18)3/h4-5,8-11,17H,6-7,21H2,1-3H3,(H,22,24).
What are the key properties of N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120568728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).