ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate

C12H17NO3 — CID 10242689

IUPACethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)CCO)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-12(15)10-4-6-11(7-5-10)13(2)8-9-14/h4-7,14H,3,8-9H2,1-2H3
InChIKeyAEZRZVSKJDYYQQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.29
Rot. Bonds5

About ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate

ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate (PubChem CID 10242689) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
PubChem CID10242689
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)CCO)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-12(15)10-4-6-11(7-5-10)13(2)8-9-14/h4-7,14H,3,8-9H2,1-2H3
InChIKeyAEZRZVSKJDYYQQ-UHFFFAOYSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
ethyl 4-(diethoxyamino)benzoate
CID 22239273
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847
pentyl 4-[hexyl(methyl)amino]benzoate
CID 139769099
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-(N-aminoanilino)benzoate
CID 15629747
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate?
The IUPAC name of ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate (CID 10242689) is ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate?
The canonical SMILES for ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate is CCOC(=O)c1ccc(N(C)CCO)cc1.
What is the InChIKey of ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate?
The InChIKey is AEZRZVSKJDYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-12(15)10-4-6-11(7-5-10)13(2)8-9-14/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate?
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate has a molecular weight of 223.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate is sourced from PubChem (CID 10242689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).