ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate

C15H23N3O3 — CID 67978022

IUPACethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
SMILESCCNc1cc(N2CCOCC2)c(C(=O)OCC)cc1N
InChIInChI=1S/C15H23N3O3/c1-3-17-13-10-14(18-5-7-20-8-6-18)11(9-12(13)16)15(19)21-4-2/h9-10,17H,3-8,16H2,1-2H3
InChIKeyNRZSEVMCJZLVEJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.71
Rot. Bonds5

About ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate

ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate (PubChem CID 67978022) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
PubChem CID67978022
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
SMILESCCNc1cc(N2CCOCC2)c(C(=O)OCC)cc1N
InChIInChI=1S/C15H23N3O3/c1-3-17-13-10-14(18-5-7-20-8-6-18)11(9-12(13)16)15(19)21-4-2/h9-10,17H,3-8,16H2,1-2H3
InChIKeyNRZSEVMCJZLVEJ-UHFFFAOYSA-N
XLogP1.71
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 5-amino-2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(methylamino)benzoate
CID 67978085
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 1-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-morpholin-4-ylbenzimidazole-5-carboxylate
CID 122420304
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
CID 114090508
N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate (CID 67978022) is ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate is CCNc1cc(N2CCOCC2)c(C(=O)OCC)cc1N.
What is the InChIKey of ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate?
The InChIKey is NRZSEVMCJZLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-13-10-14(18-5-7-20-8-6-18)11(9-12(13)16)15(19)21-4-2/h9-10,17H,3-8,16H2,1-2H3.
What are the key properties of ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate?
ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate has a molecular weight of 293.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 67978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).