(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide

C17H25N3O3 — CID 10781908

IUPAC(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
SMILESCCN1CCC[C@H]1CNC(=O)/C=N/OCc1ccc(OC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-20-10-4-5-15(20)11-18-17(21)12-19-23-13-14-6-8-16(22-2)9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3,(H,18,21)/b19-12+/t15-/m0/s1
InChIKeyRKBOFIDXFNYLOL-UZUMKDMXSA-N
MW319.40 g/mol
LogP1.80
Rot. Bonds8

About (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide

(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide (PubChem CID 10781908) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide.

Molecular Properties

Compound Name(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
PubChem CID10781908
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
SMILESCCN1CCC[C@H]1CNC(=O)/C=N/OCc1ccc(OC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-20-10-4-5-15(20)11-18-17(21)12-19-23-13-14-6-8-16(22-2)9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3,(H,18,21)/b19-12+/t15-/m0/s1
InChIKeyRKBOFIDXFNYLOL-UZUMKDMXSA-N
XLogP1.80
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide 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

(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9087764
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 7987088
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111083941
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111024399
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111169085
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-methoxyphenyl)thiourea
CID 2534609

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide?
The IUPAC name of (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide (CID 10781908) is (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide.
What is the SMILES notation for (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide?
The canonical SMILES for (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide is CCN1CCC[C@H]1CNC(=O)/C=N/OCc1ccc(OC)cc1.
What is the InChIKey of (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide?
The InChIKey is RKBOFIDXFNYLOL-UZUMKDMXSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-20-10-4-5-15(20)11-18-17(21)12-19-23-13-14-6-8-16(22-2)9-7-14/h6-9,12,15H,3-5,10-11,13H2,1-2H3,(H,18,21)/b19-12+/t15-/m0/s1.
What are the key properties of (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide?
(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide has a molecular weight of 319.40 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide is sourced from PubChem (CID 10781908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).