4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide

C14H21N3O2 — CID 63356955

IUPAC4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCOCC2(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)12-8-10(13(18)16-3)4-5-11(12)15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyKMGURMRPHVUSNJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds2

About 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide

4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide (PubChem CID 63356955) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
PubChem CID63356955
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCOCC2(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)12-8-10(13(18)16-3)4-5-11(12)15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyKMGURMRPHVUSNJ-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452858
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82898104
1-[4-(3,3-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanone
CID 61432978
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
CID 63357224
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide (CID 63356955) is 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide is CNC(=O)c1ccc(N)c(N2CCOCC2(C)C)c1.
What is the InChIKey of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide?
The InChIKey is KMGURMRPHVUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)12-8-10(13(18)16-3)4-5-11(12)15/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide?
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 63356955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).