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

C13H19NO3 — CID 101131905

IUPACethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)11-5-7-12(8-6-11)14(3)9-10(2)15/h5-8,10,15H,4,9H2,1-3H3
InChIKeyLWMDNLHUPRWDTI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.68
Rot. Bonds5

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

ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate (PubChem CID 101131905) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
PubChem CID101131905
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)11-5-7-12(8-6-11)14(3)9-10(2)15/h5-8,10,15H,4,9H2,1-3H3
InChIKeyLWMDNLHUPRWDTI-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
ethyl 4-(diethoxyamino)benzoate
CID 22239273
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
ethyl 3-[bis(2-hydroxypropyl)amino]benzoate
CID 101317489
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-[(2S)-3-(dimethylamino)-2-methylpropyl]benzoate
CID 139211043
3-(4-ethoxycarbonyl-N-propylanilino)-2-methylpropanoic acid
CID 82317833
ethyl 6-[chloro-[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 145219375
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
ethyl 4-(N-aminoanilino)benzoate
CID 15629747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate?
The IUPAC name of ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate (CID 101131905) is ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate?
The canonical SMILES for ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate is CCOC(=O)c1ccc(N(C)CC(C)O)cc1.
What is the InChIKey of ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate?
The InChIKey is LWMDNLHUPRWDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-13(16)11-5-7-12(8-6-11)14(3)9-10(2)15/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate?
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate has a molecular weight of 237.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate is sourced from PubChem (CID 101131905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).