ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate

C18H21N3O5 — CID 548211

IUPACethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(CC(NC(=O)c2ccccc2)C(=O)OCC)[nH]1
InChIInChI=1S/C18H21N3O5/c1-3-25-17(23)14(21-16(22)12-8-6-5-7-9-12)10-13-11-19-15(20-13)18(24)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCCEVDJRWRHVWJX-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.49
Rot. Bonds8

About ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate

ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate (PubChem CID 548211) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate
PubChem CID548211
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Nameethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(CC(NC(=O)c2ccccc2)C(=O)OCC)[nH]1
InChIInChI=1S/C18H21N3O5/c1-3-25-17(23)14(21-16(22)12-8-6-5-7-9-12)10-13-11-19-15(20-13)18(24)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCCEVDJRWRHVWJX-UHFFFAOYSA-N
XLogP1.49
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-benzamido-4-methylpentanoate
CID 12773376
methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
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ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
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[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
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ethyl 2-benzamido-3-tert-butylsulfanylpropanoate
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ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate chloride
CID 45108589
ethyl (2S)-2-benzamido-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
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[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
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ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate (CID 548211) is ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate is CCOC(=O)c1ncc(CC(NC(=O)c2ccccc2)C(=O)OCC)[nH]1.
What is the InChIKey of ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate?
The InChIKey is CCEVDJRWRHVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-25-17(23)14(21-16(22)12-8-6-5-7-9-12)10-13-11-19-15(20-13)18(24)26-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate?
ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-benzamido-3-ethoxy-3-oxopropyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 548211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).