ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate

C17H19N3O4 — CID 163659293

IUPACethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nc(C)ncc1OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-3-23-15(21)10-19-17(22)16-14(9-18-12(2)20-16)24-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyISZMMKKNHYWLQO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.66
Rot. Bonds7

About ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate

ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate (PubChem CID 163659293) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
PubChem CID163659293
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nc(C)ncc1OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-3-23-15(21)10-19-17(22)16-14(9-18-12(2)20-16)24-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,19,22)
InChIKeyISZMMKKNHYWLQO-UHFFFAOYSA-N
XLogP1.66
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(5-amino-2-phenylmethoxybenzoyl)amino]acetate;hydrochloride
CID 24838474
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
CID 162731713
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
benzyl 2-[[6-(benzenesulfonyl)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692238
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate (CID 163659293) is ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1nc(C)ncc1OCc1ccccc1.
What is the InChIKey of ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate?
The InChIKey is ISZMMKKNHYWLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-23-15(21)10-19-17(22)16-14(9-18-12(2)20-16)24-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,19,22).
What are the key properties of ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate?
ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate has a molecular weight of 329.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 163659293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).