2-propoxyethyl 4-(methylamino)benzoate

C13H19NO3 — CID 104698977

IUPAC2-propoxyethyl 4-(methylamino)benzoate
SMILESCCCOCCOC(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-16-9-10-17-13(15)11-4-6-12(14-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyQCTIZGMEEGQMIW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.31
Rot. Bonds7

About 2-propoxyethyl 4-(methylamino)benzoate

2-propoxyethyl 4-(methylamino)benzoate (PubChem CID 104698977) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-propoxyethyl 4-(methylamino)benzoate.

Molecular Properties

Compound Name2-propoxyethyl 4-(methylamino)benzoate
PubChem CID104698977
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-propoxyethyl 4-(methylamino)benzoate
SMILESCCCOCCOC(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-16-9-10-17-13(15)11-4-6-12(14-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyQCTIZGMEEGQMIW-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
4-methylpentyl 4-(methylamino)benzoate
CID 104698967
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
CID 102205051
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-(methylamino)benzoate?
The IUPAC name of 2-propoxyethyl 4-(methylamino)benzoate (CID 104698977) is 2-propoxyethyl 4-(methylamino)benzoate.
What is the SMILES notation for 2-propoxyethyl 4-(methylamino)benzoate?
The canonical SMILES for 2-propoxyethyl 4-(methylamino)benzoate is CCCOCCOC(=O)c1ccc(NC)cc1.
What is the InChIKey of 2-propoxyethyl 4-(methylamino)benzoate?
The InChIKey is QCTIZGMEEGQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-16-9-10-17-13(15)11-4-6-12(14-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 2-propoxyethyl 4-(methylamino)benzoate?
2-propoxyethyl 4-(methylamino)benzoate has a molecular weight of 237.30 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-(methylamino)benzoate is sourced from PubChem (CID 104698977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).