2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C16H21ClN2O3 — CID 57264503

IUPAC2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCC1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c1-12(13-4-6-14(17)7-5-13)19-22-11-16(20)21-10-8-15-3-2-9-18-15/h4-7,15,18-19H,1-3,8-11H2
InChIKeyOGMHHHAGCMIWOA-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.52
Rot. Bonds8

About 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57264503) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57264503
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCC1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c1-12(13-4-6-14(17)7-5-13)19-22-11-16(20)21-10-8-15-3-2-9-18-15/h4-7,15,18-19H,1-3,8-11H2
InChIKeyOGMHHHAGCMIWOA-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
2-[(2S)-piperidin-2-yl]ethyl pyridine-4-carboxylate
CID 86319343
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-(pyrrolidin-2-ylmethylamino)oxyacetamide
CID 106639193

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57264503) is 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCC1CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is OGMHHHAGCMIWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-12(13-4-6-14(17)7-5-13)19-22-11-16(20)21-10-8-15-3-2-9-18-15/h4-7,15,18-19H,1-3,8-11H2.
What are the key properties of 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 324.81 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57264503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).