ethyl 4-carbamoyl-2-ethoxybenzoate

C12H15NO4 — CID 132570188

IUPACethyl 4-carbamoyl-2-ethoxybenzoate
SMILESCCOC(=O)c1ccc(C(N)=O)cc1OCC
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-8(11(13)14)5-6-9(10)12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H2,13,14)
InChIKeyONJYJMQECAXPMZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.36
Rot. Bonds5

About ethyl 4-carbamoyl-2-ethoxybenzoate

ethyl 4-carbamoyl-2-ethoxybenzoate (PubChem CID 132570188) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-ethoxybenzoate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-ethoxybenzoate
PubChem CID132570188
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 4-carbamoyl-2-ethoxybenzoate
SMILESCCOC(=O)c1ccc(C(N)=O)cc1OCC
InChIInChI=1S/C12H15NO4/c1-3-16-10-7-8(11(13)14)5-6-9(10)12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H2,13,14)
InChIKeyONJYJMQECAXPMZ-UHFFFAOYSA-N
XLogP1.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
CID 174358590
ethyl 4-(2-chloropropanoyl)-2-ethoxybenzoate
CID 134642958
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 4-(3-bromopropanoyl)-3-ethoxybenzoate
CID 134642950
2,4-diethoxybenzamide
CID 17145726
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
4-chloro-2-ethoxybenzamide
CID 126998915
2-(3-ethoxy-4-ethoxycarbonylphenyl)pyrimidine-4-carboxylic acid
CID 145227831
ethyl 5-ethoxy-4-iodo-2-methylbenzoate
CID 162352683
4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-ethoxybenzoate?
The IUPAC name of ethyl 4-carbamoyl-2-ethoxybenzoate (CID 132570188) is ethyl 4-carbamoyl-2-ethoxybenzoate.
What is the SMILES notation for ethyl 4-carbamoyl-2-ethoxybenzoate?
The canonical SMILES for ethyl 4-carbamoyl-2-ethoxybenzoate is CCOC(=O)c1ccc(C(N)=O)cc1OCC.
What is the InChIKey of ethyl 4-carbamoyl-2-ethoxybenzoate?
The InChIKey is ONJYJMQECAXPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-10-7-8(11(13)14)5-6-9(10)12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of ethyl 4-carbamoyl-2-ethoxybenzoate?
ethyl 4-carbamoyl-2-ethoxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-ethoxybenzoate is sourced from PubChem (CID 132570188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).