ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate

C15H23NO4 — CID 79071349

IUPACethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
SMILESCCOCCOCc1ccc(C(=O)OCC)c(N)c1C
InChIInChI=1S/C15H23NO4/c1-4-18-8-9-19-10-12-6-7-13(14(16)11(12)3)15(17)20-5-2/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyDZQZVDPKXKYHFP-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds8

About ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate

ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate (PubChem CID 79071349) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
PubChem CID79071349
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
SMILESCCOCCOCc1ccc(C(=O)OCC)c(N)c1C
InChIInChI=1S/C15H23NO4/c1-4-18-8-9-19-10-12-6-7-13(14(16)11(12)3)15(17)20-5-2/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyDZQZVDPKXKYHFP-UHFFFAOYSA-N
XLogP2.31
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

propyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79082161
propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
CID 65435400
ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
CID 159629357
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
methyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
CID 65435401
ethyl 3-amino-4-hydroxy-2-methylbenzoate
CID 131486340
ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate
CID 134275218
propan-2-yl 2-amino-3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 79547960
6-(2-ethoxyethoxycarbonyl)-2,3-diethylbenzoic acid
CID 172843496
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
ethyl 2-amino-3-propylbenzoate
CID 60835647
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate (CID 79071349) is ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate is CCOCCOCc1ccc(C(=O)OCC)c(N)c1C.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate?
The InChIKey is DZQZVDPKXKYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-18-8-9-19-10-12-6-7-13(14(16)11(12)3)15(17)20-5-2/h6-7H,4-5,8-10,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate?
ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate has a molecular weight of 281.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate is sourced from PubChem (CID 79071349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).