1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C15H21ClN2O3 — CID 57178648

IUPAC1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC(C)CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(9-18(3)4)21-15(19)10-20-17-12(2)13-5-7-14(16)8-6-13/h5-8,11,17H,2,9-10H2,1,3-4H3
InChIKeyUJVRCHBPCRWVGA-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.33
Rot. Bonds8

About 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57178648) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57178648
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OC(C)CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(9-18(3)4)21-15(19)10-20-17-12(2)13-5-7-14(16)8-6-13/h5-8,11,17H,2,9-10H2,1,3-4H3
InChIKeyUJVRCHBPCRWVGA-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hydroxylamine, N-(p-chlorobenzyl)-O-(2-diethylaminoethyl)-, oxalate
CID 3046187
2-acetyloxy-N-(2-acetyloxyethyl)-N-[(4-chlorophenyl)methyl]ethanamine oxide
CID 134884551
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethenamine
CID 57073351
2-Acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57084115
4-[[3-(4-Chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57201017
(1,4-Dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57208828

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57178648) is 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OC(C)CN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is UJVRCHBPCRWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(9-18(3)4)21-15(19)10-20-17-12(2)13-5-7-14(16)8-6-13/h5-8,11,17H,2,9-10H2,1,3-4H3.
What are the key properties of 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 312.80 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57178648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).