4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide

C14H21N3O3 — CID 114776221

IUPAC4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
SMILESCC1(C)CN(c2cc(C(N)=O)ccc2N)CC(CO)O1
InChIInChI=1S/C14H21N3O3/c1-14(2)8-17(6-10(7-18)20-14)12-5-9(13(16)19)3-4-11(12)15/h3-5,10,18H,6-8,15H2,1-2H3,(H2,16,19)
InChIKeyVNNLQPHXYLRFKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.34
Rot. Bonds3

About 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide

4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide (PubChem CID 114776221) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
PubChem CID114776221
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
SMILESCC1(C)CN(c2cc(C(N)=O)ccc2N)CC(CO)O1
InChIInChI=1S/C14H21N3O3/c1-14(2)8-17(6-10(7-18)20-14)12-5-9(13(16)19)3-4-11(12)15/h3-5,10,18H,6-8,15H2,1-2H3,(H2,16,19)
InChIKeyVNNLQPHXYLRFKM-UHFFFAOYSA-N
XLogP0.34
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114777207
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
(3-amino-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776108
5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114776979
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
4-chloro-N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777065
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide?
The IUPAC name of 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide (CID 114776221) is 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide.
What is the SMILES notation for 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide?
The canonical SMILES for 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide is CC1(C)CN(c2cc(C(N)=O)ccc2N)CC(CO)O1.
What is the InChIKey of 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide?
The InChIKey is VNNLQPHXYLRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2)8-17(6-10(7-18)20-14)12-5-9(13(16)19)3-4-11(12)15/h3-5,10,18H,6-8,15H2,1-2H3,(H2,16,19).
What are the key properties of 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide?
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide is sourced from PubChem (CID 114776221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).