[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate

C15H21N3O3 — CID 61489001

IUPAC[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
SMILESCN(C)c1ccc(N)cc1C(=O)OCC(=O)N(C)C1CC1
InChIInChI=1S/C15H21N3O3/c1-17(2)13-7-4-10(16)8-12(13)15(20)21-9-14(19)18(3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3
InChIKeyJNFJFTXAMPIACF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds5

About [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate

[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate (PubChem CID 61489001) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
PubChem CID61489001
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
SMILESCN(C)c1ccc(N)cc1C(=O)OCC(=O)N(C)C1CC1
InChIInChI=1S/C15H21N3O3/c1-17(2)13-7-4-10(16)8-12(13)15(20)21-9-14(19)18(3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3
InChIKeyJNFJFTXAMPIACF-UHFFFAOYSA-N
XLogP1.11
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 112580307
[2-(tert-butylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321626
2-fluoroethyl 5-amino-2-(dimethylamino)benzoate
CID 80695629
cyclohexyl 5-amino-2-(dimethylamino)benzoate
CID 61308483
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
[2-(2-methylpropylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321624
benzyl 5-amino-2-(dimethylamino)benzoate
CID 61310016
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
octyl 5-amino-2-(dimethylamino)benzoate
CID 63446936

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate (CID 61489001) is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate is CN(C)c1ccc(N)cc1C(=O)OCC(=O)N(C)C1CC1.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate?
The InChIKey is JNFJFTXAMPIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)13-7-4-10(16)8-12(13)15(20)21-9-14(19)18(3)11-5-6-11/h4,7-8,11H,5-6,9,16H2,1-3H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate?
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate has a molecular weight of 291.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate is sourced from PubChem (CID 61489001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).