methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate

C14H21N3O3 — CID 103113350

IUPACmethyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17(3)13(18)9(2)16-10-6-7-12(15)11(8-10)14(19)20-4/h6-9,16H,5,15H2,1-4H3
InChIKeyMHDAJAUBXXUMOG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate

methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate (PubChem CID 103113350) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
PubChem CID103113350
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-17(3)13(18)9(2)16-10-6-7-12(15)11(8-10)14(19)20-4/h6-9,16H,5,15H2,1-4H3
InChIKeyMHDAJAUBXXUMOG-UHFFFAOYSA-N
XLogP1.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate with MolForge

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Related Compounds

methyl 2-amino-5-(1-ethylsulfanylpropan-2-ylamino)benzoate
CID 113499324
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
methyl 2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzoate
CID 106039570
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719
methyl 2-amino-5-(4-methylpentylamino)benzoate
CID 63002592
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate?
The IUPAC name of methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate (CID 103113350) is methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate is CCN(C)C(=O)C(C)Nc1ccc(N)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate?
The InChIKey is MHDAJAUBXXUMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-17(3)13(18)9(2)16-10-6-7-12(15)11(8-10)14(19)20-4/h6-9,16H,5,15H2,1-4H3.
What are the key properties of methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate?
methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate has a molecular weight of 279.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate is sourced from PubChem (CID 103113350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).