N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride

C14H23Cl2N3O3 — CID 119419896

IUPACN-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
SMILESCCN1CCOC(C(=O)Nc2ccc(OC)c(N)c2)C1.Cl.Cl
InChIInChI=1S/C14H21N3O3.2ClH/c1-3-17-6-7-20-13(9-17)14(18)16-10-4-5-12(19-2)11(15)8-10;;/h4-5,8,13H,3,6-7,9,15H2,1-2H3,(H,16,18);2*1H
InChIKeyKERMQMLJBYSKFK-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.78
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride

N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride (PubChem CID 119419896) has the molecular formula C14H23Cl2N3O3 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
PubChem CID119419896
Molecular FormulaC14H23Cl2N3O3
Molecular Weight352.26 g/mol
Exact Mass351.11
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
SMILESCCN1CCOC(C(=O)Nc2ccc(OC)c(N)c2)C1.Cl.Cl
InChIInChI=1S/C14H21N3O3.2ClH/c1-3-17-6-7-20-13(9-17)14(18)16-10-4-5-12(19-2)11(15)8-10;;/h4-5,8,13H,3,6-7,9,15H2,1-2H3,(H,16,18);2*1H
InChIKeyKERMQMLJBYSKFK-UHFFFAOYSA-N
XLogP1.78
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-ethylmorpholine-2-carboxamide
CID 95904687
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119419140
N-(3-amino-4-methoxyphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119419403
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride (CID 119419896) is N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride is CCN1CCOC(C(=O)Nc2ccc(OC)c(N)c2)C1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride?
The InChIKey is KERMQMLJBYSKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.2ClH/c1-3-17-6-7-20-13(9-17)14(18)16-10-4-5-12(19-2)11(15)8-10;;/h4-5,8,13H,3,6-7,9,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride?
N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride has a molecular weight of 352.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119419896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).