ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate

C18H21N3O3 — CID 163927387

IUPACethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(-c2ncccc2C)c1
InChIInChI=1S/C18H21N3O3/c1-3-24-16(22)12-21-18(23)20-11-14-7-4-8-15(10-14)17-13(2)6-5-9-19-17/h4-10H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyRFRKHPIMVQNEAY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.42
Rot. Bonds6

About ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate

ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate (PubChem CID 163927387) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate
PubChem CID163927387
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(-c2ncccc2C)c1
InChIInChI=1S/C18H21N3O3/c1-3-24-16(22)12-21-18(23)20-11-14-7-4-8-15(10-14)17-13(2)6-5-9-19-17/h4-10H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyRFRKHPIMVQNEAY-UHFFFAOYSA-N
XLogP2.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate (CID 163927387) is ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1cccc(-c2ncccc2C)c1.
What is the InChIKey of ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The InChIKey is RFRKHPIMVQNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-24-16(22)12-21-18(23)20-11-14-7-4-8-15(10-14)17-13(2)6-5-9-19-17/h4-10H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate?
ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate has a molecular weight of 327.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-methyl-2-pyridinyl)phenyl]methylcarbamoylamino]acetate is sourced from PubChem (CID 163927387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).