4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide

C14H21N3O2 — CID 63360895

IUPAC4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCOC(C)C2)c1
InChIInChI=1S/C14H21N3O2/c1-3-16-14(18)11-4-5-12(15)13(8-11)17-6-7-19-10(2)9-17/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyJLRBRQCLDKIJSH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide

4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide (PubChem CID 63360895) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
PubChem CID63360895
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCOC(C)C2)c1
InChIInChI=1S/C14H21N3O2/c1-3-16-14(18)11-4-5-12(15)13(8-11)17-6-7-19-10(2)9-17/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyJLRBRQCLDKIJSH-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-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
CID 63611183
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
methyl 3-amino-4-(2-methyl-1,4-oxazepan-4-yl)benzoate
CID 62967652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide (CID 63360895) is 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide is CCNC(=O)c1ccc(N)c(N2CCOC(C)C2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide?
The InChIKey is JLRBRQCLDKIJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-14(18)11-4-5-12(15)13(8-11)17-6-7-19-10(2)9-17/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide?
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide 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 4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide is sourced from PubChem (CID 63360895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).