3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide

C14H21N3O2 — CID 82989331

IUPAC3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
SMILESCCC1COCCN1c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H21N3O2/c1-3-11-9-19-7-6-17(11)13-5-4-10(8-12(13)15)14(18)16-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyYQVYMIIDBJPUJS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide

3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide (PubChem CID 82989331) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
PubChem CID82989331
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
SMILESCCC1COCCN1c1ccc(C(=O)NC)cc1N
InChIInChI=1S/C14H21N3O2/c1-3-11-9-19-7-6-17(11)13-5-4-10(8-12(13)15)14(18)16-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyYQVYMIIDBJPUJS-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
CID 61305378
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-[3-amino-4-(3-ethylmorpholin-4-yl)phenyl]-4-methoxybutanoic acid
CID 122586032
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide
CID 97221905

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide (CID 82989331) is 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide is CCC1COCCN1c1ccc(C(=O)NC)cc1N.
What is the InChIKey of 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide?
The InChIKey is YQVYMIIDBJPUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11-9-19-7-6-17(11)13-5-4-10(8-12(13)15)14(18)16-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide?
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 82989331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).