ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate

C14H19NO4 — CID 68872362

IUPACethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
SMILESCCOC(=O)c1ccc(OCC)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H19NO4/c1-5-18-12-8-7-10(14(17)19-6-2)9-11(12)13(16)15(3)4/h7-9H,5-6H2,1-4H3
InChIKeyPONFPZWPQCQKME-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds5

About ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate

ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate (PubChem CID 68872362) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate.

Molecular Properties

Compound Nameethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
PubChem CID68872362
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
SMILESCCOC(=O)c1ccc(OCC)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H19NO4/c1-5-18-12-8-7-10(14(17)19-6-2)9-11(12)13(16)15(3)4/h7-9H,5-6H2,1-4H3
InChIKeyPONFPZWPQCQKME-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,4-diethoxybenzoate
CID 586407
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
ethyl 3-ethoxy-4-(2-oxopropyl)benzoate
CID 134642967
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
CID 174358590
ethyl 4-(3-bromopropanoyl)-3-ethoxybenzoate
CID 134642950
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
ethyl 3,4-bis(3-hydroxypropoxy)benzoate
CID 66647401
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate?
The IUPAC name of ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate (CID 68872362) is ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate.
What is the SMILES notation for ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate?
The canonical SMILES for ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate is CCOC(=O)c1ccc(OCC)c(C(=O)N(C)C)c1.
What is the InChIKey of ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate?
The InChIKey is PONFPZWPQCQKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-18-12-8-7-10(14(17)19-6-2)9-11(12)13(16)15(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate?
ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate is sourced from PubChem (CID 68872362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).