methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate

C15H20ClN3O4 — CID 51091367

IUPACmethyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
SMILESCCNC(=O)NC(=O)CN(CC(=O)OC)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O4/c1-3-17-15(22)18-13(20)9-19(10-14(21)23-2)8-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyPVMKPIIBYRGUBC-UHFFFAOYSA-N
MW341.80 g/mol
LogP1.16
Rot. Bonds7

About methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate

methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate (PubChem CID 51091367) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
PubChem CID51091367
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Namemethyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
SMILESCCNC(=O)NC(=O)CN(CC(=O)OC)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O4/c1-3-17-15(22)18-13(20)9-19(10-14(21)23-2)8-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyPVMKPIIBYRGUBC-UHFFFAOYSA-N
XLogP1.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

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methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate (CID 51091367) is methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate is CCNC(=O)NC(=O)CN(CC(=O)OC)Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate?
The InChIKey is PVMKPIIBYRGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-3-17-15(22)18-13(20)9-19(10-14(21)23-2)8-11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22).
What are the key properties of methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate?
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate has a molecular weight of 341.80 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 51091367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).