3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide

C14H21N3O3 — CID 107873410

IUPAC3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
SMILESCCN1CCOC(COc2c(N)cccc2C(N)=O)C1
InChIInChI=1S/C14H21N3O3/c1-2-17-6-7-19-10(8-17)9-20-13-11(14(16)18)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3,(H2,16,18)
InChIKeyAKWAPGWDJODQKX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.47
Rot. Bonds5

About 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide

3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide (PubChem CID 107873410) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
PubChem CID107873410
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
SMILESCCN1CCOC(COc2c(N)cccc2C(N)=O)C1
InChIInChI=1S/C14H21N3O3/c1-2-17-6-7-19-10(8-17)9-20-13-11(14(16)18)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3,(H2,16,18)
InChIKeyAKWAPGWDJODQKX-UHFFFAOYSA-N
XLogP0.47
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979731
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide?
The IUPAC name of 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide (CID 107873410) is 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide.
What is the SMILES notation for 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide?
The canonical SMILES for 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide is CCN1CCOC(COc2c(N)cccc2C(N)=O)C1.
What is the InChIKey of 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide?
The InChIKey is AKWAPGWDJODQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-17-6-7-19-10(8-17)9-20-13-11(14(16)18)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide?
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide is sourced from PubChem (CID 107873410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).