methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate

C15H19ClN2O3 — CID 60565505

IUPACmethyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-3-8-17-14(19)10-18(11-15(20)21-2)9-12-6-4-5-7-13(12)16/h3-7H,1,8-11H2,2H3,(H,17,19)
InChIKeyJJUMZVKNGYKKOS-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.62
Rot. Bonds8

About methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate

methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate (PubChem CID 60565505) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
PubChem CID60565505
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-3-8-17-14(19)10-18(11-15(20)21-2)9-12-6-4-5-7-13(12)16/h3-7H,1,8-11H2,2H3,(H,17,19)
InChIKeyJJUMZVKNGYKKOS-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 51091367
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]amino]acetate
CID 60565344
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
CID 103821518
methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011489
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
methyl 2-[(2-chlorophenyl)methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]acetate
CID 60579255
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate (CID 60565505) is methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate is C=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The InChIKey is JJUMZVKNGYKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-8-17-14(19)10-18(11-15(20)21-2)9-12-6-4-5-7-13(12)16/h3-7H,1,8-11H2,2H3,(H,17,19).
What are the key properties of methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate has a molecular weight of 310.78 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate is sourced from PubChem (CID 60565505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).