N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide

C23H25N3O5 — CID 40978685

IUPACN-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide
SMILESCc1ccc(OCCNC(=O)C(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H25N3O5/c1-15-3-7-18(8-4-15)26-14-17(13-20(26)27)21(28)25-23(30)22(29)24-11-12-31-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,28,30)/t17-/m0/s1
InChIKeyMCRCPLLRKLIMDU-KRWDZBQOSA-N
MW423.47 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide

N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide (PubChem CID 40978685) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide
PubChem CID40978685
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide
SMILESCc1ccc(OCCNC(=O)C(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H25N3O5/c1-15-3-7-18(8-4-15)26-14-17(13-20(26)27)21(28)25-23(30)22(29)24-11-12-31-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,28,30)/t17-/m0/s1
InChIKeyMCRCPLLRKLIMDU-KRWDZBQOSA-N
XLogP1.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611
1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751538
1-(4-ethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46400008
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 18209545

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide (CID 40978685) is N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide is Cc1ccc(OCCNC(=O)C(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide?
The InChIKey is MCRCPLLRKLIMDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15-3-7-18(8-4-15)26-14-17(13-20(26)27)21(28)25-23(30)22(29)24-11-12-31-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H,24,29)(H,25,28,30)/t17-/m0/s1.
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide?
N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide has a molecular weight of 423.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-N'-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxamide is sourced from PubChem (CID 40978685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).