2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide

C13H20N4O2 — CID 18937435

IUPAC2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
SMILESNC(=O)c1ccc(CCN2CCOCC2)c(N)c1N
InChIInChI=1S/C13H20N4O2/c14-11-9(1-2-10(12(11)15)13(16)18)3-4-17-5-7-19-8-6-17/h1-2H,3-8,14-15H2,(H2,16,18)
InChIKeyXJSYSJGBKMRWGV-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.18
Rot. Bonds4

About 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide

2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide (PubChem CID 18937435) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
PubChem CID18937435
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
SMILESNC(=O)c1ccc(CCN2CCOCC2)c(N)c1N
InChIInChI=1S/C13H20N4O2/c14-11-9(1-2-10(12(11)15)13(16)18)3-4-17-5-7-19-8-6-17/h1-2H,3-8,14-15H2,(H2,16,18)
InChIKeyXJSYSJGBKMRWGV-UHFFFAOYSA-N
XLogP-0.18
TPSA107.60 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 ≤ 5-0.18
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

2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
3-(2-morpholin-4-ylethyl)-4-nitrobenzene-1,2-dicarboxamide
CID 70118969
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
2-[2-amino-4-(3-morpholin-4-ylpropyl)-3-nitrophenyl]sulfonylbenzamide
CID 67432974
4-(2-morpholin-4-ylethoxy)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 70241021
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
CID 21127043
2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid
CID 175359062
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide (CID 18937435) is 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide is NC(=O)c1ccc(CCN2CCOCC2)c(N)c1N.
What is the InChIKey of 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is XJSYSJGBKMRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-11-9(1-2-10(12(11)15)13(16)18)3-4-17-5-7-19-8-6-17/h1-2H,3-8,14-15H2,(H2,16,18).
What are the key properties of 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide?
2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 18937435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).