4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide

C14H21N3O3 — CID 81205850

IUPAC4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCOC(CO)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-14(19)12-4-3-10(15)7-13(12)17-5-6-20-11(8-17)9-18/h3-4,7,11,18H,2,5-6,8-9,15H2,1H3,(H,16,19)
InChIKeyDWGCGNSXWDLFOE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.22
Rot. Bonds4

About 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide

4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide (PubChem CID 81205850) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
PubChem CID81205850
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCOC(CO)C1
InChIInChI=1S/C14H21N3O3/c1-2-16-14(19)12-4-3-10(15)7-13(12)17-5-6-20-11(8-17)9-18/h3-4,7,11,18H,2,5-6,8-9,15H2,1H3,(H,16,19)
InChIKeyDWGCGNSXWDLFOE-UHFFFAOYSA-N
XLogP0.22
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.22
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

3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955449
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
4-amino-N-ethyl-2-(3-methoxypiperidin-1-yl)benzamide
CID 102955746
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
CID 65283667
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide (CID 81205850) is 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide is CCNC(=O)c1ccc(N)cc1N1CCOC(CO)C1.
What is the InChIKey of 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide?
The InChIKey is DWGCGNSXWDLFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-14(19)12-4-3-10(15)7-13(12)17-5-6-20-11(8-17)9-18/h3-4,7,11,18H,2,5-6,8-9,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide?
4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide is sourced from PubChem (CID 81205850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).