2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide

C13H20N4O2 — CID 79071800

IUPAC2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
SMILESCN1CCOC(CNc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C13H20N4O2/c1-17-4-5-19-10(8-17)7-16-9-2-3-12(14)11(6-9)13(15)18/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H2,15,18)
InChIKeyZWKCOCSRSTTYRA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.11
Rot. Bonds4

About 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide

2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide (PubChem CID 79071800) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
PubChem CID79071800
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
SMILESCN1CCOC(CNc2ccc(N)c(C(N)=O)c2)C1
InChIInChI=1S/C13H20N4O2/c1-17-4-5-19-10(8-17)7-16-9-2-3-12(14)11(6-9)13(15)18/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H2,15,18)
InChIKeyZWKCOCSRSTTYRA-UHFFFAOYSA-N
XLogP0.11
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.11
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

4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
CID 61306295
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
4-methyl-2-[(4-methylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 79071627
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide?
The IUPAC name of 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide (CID 79071800) is 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide?
The canonical SMILES for 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide is CN1CCOC(CNc2ccc(N)c(C(N)=O)c2)C1.
What is the InChIKey of 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide?
The InChIKey is ZWKCOCSRSTTYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17-4-5-19-10(8-17)7-16-9-2-3-12(14)11(6-9)13(15)18/h2-3,6,10,16H,4-5,7-8,14H2,1H3,(H2,15,18).
What are the key properties of 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide?
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide is sourced from PubChem (CID 79071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).