N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide

C17H25N3O3 — CID 7255910

IUPACN'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-20-11-5-6-14(20)12-18-16(21)17(22)19-13-7-9-15(10-8-13)23-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyBMBTYUUTHGWALI-AWEZNQCLSA-N
MW319.41 g/mol
LogP1.62
Rot. Bonds6

About N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide

N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 7255910) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
PubChem CID7255910
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-20-11-5-6-14(20)12-18-16(21)17(22)19-13-7-9-15(10-8-13)23-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyBMBTYUUTHGWALI-AWEZNQCLSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]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'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 60724313
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide (CID 7255910) is N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide is CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is BMBTYUUTHGWALI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-20-11-5-6-14(20)12-18-16(21)17(22)19-13-7-9-15(10-8-13)23-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 319.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 7255910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).