[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate

C14H20N2O4 — CID 81414209

IUPAC[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
SMILESCCCCNC(=O)COC(=O)c1c(N)cccc1OC
InChIInChI=1S/C14H20N2O4/c1-3-4-8-16-12(17)9-20-14(18)13-10(15)6-5-7-11(13)19-2/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyPWBMUFYYTHRAQO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds7

About [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate

[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate (PubChem CID 81414209) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
PubChem CID81414209
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
SMILESCCCCNC(=O)COC(=O)c1c(N)cccc1OC
InChIInChI=1S/C14H20N2O4/c1-3-4-8-16-12(17)9-20-14(18)13-10(15)6-5-7-11(13)19-2/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyPWBMUFYYTHRAQO-UHFFFAOYSA-N
XLogP1.35
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 24683584
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455
[2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-6-ethoxybenzoate
CID 81396527
[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate (CID 81414209) is [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate is CCCCNC(=O)COC(=O)c1c(N)cccc1OC.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate?
The InChIKey is PWBMUFYYTHRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-4-8-16-12(17)9-20-14(18)13-10(15)6-5-7-11(13)19-2/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate?
[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).