ethyl 2-amino-5-(dibutylamino)benzoate

C17H28N2O2 — CID 63425143

IUPACethyl 2-amino-5-(dibutylamino)benzoate
SMILESCCCCN(CCCC)c1ccc(N)c(C(=O)OCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-7-11-19(12-8-5-2)14-9-10-16(18)15(13-14)17(20)21-6-3/h9-10,13H,4-8,11-12,18H2,1-3H3
InChIKeyJIZXHGYCCMILPM-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.85
Rot. Bonds9

About ethyl 2-amino-5-(dibutylamino)benzoate

ethyl 2-amino-5-(dibutylamino)benzoate (PubChem CID 63425143) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-amino-5-(dibutylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(dibutylamino)benzoate
PubChem CID63425143
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 2-amino-5-(dibutylamino)benzoate
SMILESCCCCN(CCCC)c1ccc(N)c(C(=O)OCC)c1
InChIInChI=1S/C17H28N2O2/c1-4-7-11-19(12-8-5-2)14-9-10-16(18)15(13-14)17(20)21-6-3/h9-10,13H,4-8,11-12,18H2,1-3H3
InChIKeyJIZXHGYCCMILPM-UHFFFAOYSA-N
XLogP3.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-[butan-2-yl(butyl)amino]benzoate
CID 63423618
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468
ethyl 2-amino-5-[methyl(pentan-3-yl)amino]benzoate
CID 55137191
ethyl 2-amino-5-[ethyl(2-ethylbutyl)amino]benzoate
CID 63423704
ethyl 2-amino-5-[butyl(ethyl)amino]-4-fluorobenzoate
CID 63425785
ethyl 2-amino-5-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 79865154
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
3-(N-butyl-4-ethoxycarbonylanilino)propanoic acid
CID 82317929
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
2-bromo-4-N,4-N-dihexylbenzene-1,4-diamine
CID 150613789
decyl 2-amino-5-methylbenzoate
CID 65455832

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(dibutylamino)benzoate?
The IUPAC name of ethyl 2-amino-5-(dibutylamino)benzoate (CID 63425143) is ethyl 2-amino-5-(dibutylamino)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(dibutylamino)benzoate?
The canonical SMILES for ethyl 2-amino-5-(dibutylamino)benzoate is CCCCN(CCCC)c1ccc(N)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 2-amino-5-(dibutylamino)benzoate?
The InChIKey is JIZXHGYCCMILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-7-11-19(12-8-5-2)14-9-10-16(18)15(13-14)17(20)21-6-3/h9-10,13H,4-8,11-12,18H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(dibutylamino)benzoate?
ethyl 2-amino-5-(dibutylamino)benzoate has a molecular weight of 292.42 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(dibutylamino)benzoate is sourced from PubChem (CID 63425143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).