2-(2-aminoethyl)-N-morpholin-4-ylbenzamide

C13H19N3O2 — CID 83016133

IUPAC2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
SMILESNCCc1ccccc1C(=O)NN1CCOCC1
InChIInChI=1S/C13H19N3O2/c14-6-5-11-3-1-2-4-12(11)13(17)15-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyPCXBJFBXAYRMQG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds4

About 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide

2-(2-aminoethyl)-N-morpholin-4-ylbenzamide (PubChem CID 83016133) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
PubChem CID83016133
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
SMILESNCCc1ccccc1C(=O)NN1CCOCC1
InChIInChI=1S/C13H19N3O2/c14-6-5-11-3-1-2-4-12(11)13(17)15-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyPCXBJFBXAYRMQG-UHFFFAOYSA-N
XLogP0.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
2-hydroxy-3-methyl-N-morpholin-4-ylbenzamide
CID 78910153
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide?
The IUPAC name of 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide (CID 83016133) is 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide is NCCc1ccccc1C(=O)NN1CCOCC1.
What is the InChIKey of 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide?
The InChIKey is PCXBJFBXAYRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-6-5-11-3-1-2-4-12(11)13(17)15-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17).
What are the key properties of 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide?
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83016133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).