2-(methylamino)ethyl 4-(butylamino)benzoate

C14H22N2O2 — CID 129194596

IUPAC2-(methylamino)ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCNC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16-13-7-5-12(6-8-13)14(17)18-11-10-15-2/h5-8,15-16H,3-4,9-11H2,1-2H3
InChIKeyNAKKKHPYKVYWKO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.27
Rot. Bonds8

About 2-(methylamino)ethyl 4-(butylamino)benzoate

2-(methylamino)ethyl 4-(butylamino)benzoate (PubChem CID 129194596) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(methylamino)ethyl 4-(butylamino)benzoate.

Molecular Properties

Compound Name2-(methylamino)ethyl 4-(butylamino)benzoate
PubChem CID129194596
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(methylamino)ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCNC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16-13-7-5-12(6-8-13)14(17)18-11-10-15-2/h5-8,15-16H,3-4,9-11H2,1-2H3
InChIKeyNAKKKHPYKVYWKO-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methylamino)ethyl 4-(butylamino)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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
2-[4-(butylamino)benzoyl]oxyethyl-dimethyl-pentylazanium
CID 10472091
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
(3-ethoxy-3-oxopropyl) 4-(hexadecylamino)benzoate
CID 23457838
propan-2-yl 4-(butylamino)benzoate
CID 43228867
2-[4-(hexadecylamino)benzoyl]oxyacetic acid
CID 13020106
(2-amino-2-oxoethyl) 4-(decylamino)benzoate
CID 23457837
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
2-(methylamino)ethyl benzoate
CID 158644589
butyl 4-(butylcarbamoyl)benzoate
CID 71328248
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl 4-(butylamino)benzoate?
The IUPAC name of 2-(methylamino)ethyl 4-(butylamino)benzoate (CID 129194596) is 2-(methylamino)ethyl 4-(butylamino)benzoate.
What is the SMILES notation for 2-(methylamino)ethyl 4-(butylamino)benzoate?
The canonical SMILES for 2-(methylamino)ethyl 4-(butylamino)benzoate is CCCCNc1ccc(C(=O)OCCNC)cc1.
What is the InChIKey of 2-(methylamino)ethyl 4-(butylamino)benzoate?
The InChIKey is NAKKKHPYKVYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-16-13-7-5-12(6-8-13)14(17)18-11-10-15-2/h5-8,15-16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(methylamino)ethyl 4-(butylamino)benzoate?
2-(methylamino)ethyl 4-(butylamino)benzoate has a molecular weight of 250.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl 4-(butylamino)benzoate is sourced from PubChem (CID 129194596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).