[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate

C15H20N2O3 — CID 61488844

IUPAC[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(C)c(N)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-17(12-6-7-12)14(18)9-20-15(19)11-5-4-10(2)13(16)8-11/h4-5,8,12H,3,6-7,9,16H2,1-2H3
InChIKeyWVMCKXGXDFNXKZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate

[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate (PubChem CID 61488844) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate.

Molecular Properties

Compound Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
PubChem CID61488844
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(C)c(N)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-17(12-6-7-12)14(18)9-20-15(19)11-5-4-10(2)13(16)8-11/h4-5,8,12H,3,6-7,9,16H2,1-2H3
InChIKeyWVMCKXGXDFNXKZ-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
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

[2-[ethyl(methyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 61320671
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55315017
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 2628563
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
[2-(oxan-4-ylamino)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 63098369
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 18201286
(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
CID 64773835
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 3440800
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 2637634
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate (CID 61488844) is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate.
What is the SMILES notation for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The canonical SMILES for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate is CCN(C(=O)COC(=O)c1ccc(C)c(N)c1)C1CC1.
What is the InChIKey of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
The InChIKey is WVMCKXGXDFNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-17(12-6-7-12)14(18)9-20-15(19)11-5-4-10(2)13(16)8-11/h4-5,8,12H,3,6-7,9,16H2,1-2H3.
What are the key properties of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate?
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate is sourced from PubChem (CID 61488844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).