3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide

C15H23N3O2 — CID 102742749

IUPAC3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2ccc(C(N)=O)cc2N)CC(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)12-6-5-10(13(17)19)7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyQTURMUIVABINOC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds2

About 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide

3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide (PubChem CID 102742749) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
PubChem CID102742749
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2ccc(C(N)=O)cc2N)CC(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)12-6-5-10(13(17)19)7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H2,17,19)
InChIKeyQTURMUIVABINOC-UHFFFAOYSA-N
XLogP1.76
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The IUPAC name of 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide (CID 102742749) is 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The canonical SMILES for 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide is CC1(C)CN(c2ccc(C(N)=O)cc2N)CC(C)(C)O1.
What is the InChIKey of 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The InChIKey is QTURMUIVABINOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)8-18(9-15(3,4)20-14)12-6-5-10(13(17)19)7-11(12)16/h5-7H,8-9,16H2,1-4H3,(H2,17,19).
What are the key properties of 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 102742749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).