2-amino-3-(2-morpholin-4-ylethylamino)benzamide

C13H20N4O2 — CID 113332479

IUPAC2-amino-3-(2-morpholin-4-ylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCN2CCOCC2)c1N
InChIInChI=1S/C13H20N4O2/c14-12-10(13(15)18)2-1-3-11(12)16-4-5-17-6-8-19-9-7-17/h1-3,16H,4-9,14H2,(H2,15,18)
InChIKeyPXJLJGNPRKQVSD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.11
Rot. Bonds5

About 2-amino-3-(2-morpholin-4-ylethylamino)benzamide

2-amino-3-(2-morpholin-4-ylethylamino)benzamide (PubChem CID 113332479) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-3-(2-morpholin-4-ylethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-morpholin-4-ylethylamino)benzamide
PubChem CID113332479
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-3-(2-morpholin-4-ylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCN2CCOCC2)c1N
InChIInChI=1S/C13H20N4O2/c14-12-10(13(15)18)2-1-3-11(12)16-4-5-17-6-8-19-9-7-17/h1-3,16H,4-9,14H2,(H2,15,18)
InChIKeyPXJLJGNPRKQVSD-UHFFFAOYSA-N
XLogP0.11
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
CID 115544710
2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
CID 18937435
2,3-difluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 107934440
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 135182847
2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
CID 70588001
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-morpholin-4-ylethylamino)benzamide?
The IUPAC name of 2-amino-3-(2-morpholin-4-ylethylamino)benzamide (CID 113332479) is 2-amino-3-(2-morpholin-4-ylethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(2-morpholin-4-ylethylamino)benzamide?
The canonical SMILES for 2-amino-3-(2-morpholin-4-ylethylamino)benzamide is NC(=O)c1cccc(NCCN2CCOCC2)c1N.
What is the InChIKey of 2-amino-3-(2-morpholin-4-ylethylamino)benzamide?
The InChIKey is PXJLJGNPRKQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-12-10(13(15)18)2-1-3-11(12)16-4-5-17-6-8-19-9-7-17/h1-3,16H,4-9,14H2,(H2,15,18).
What are the key properties of 2-amino-3-(2-morpholin-4-ylethylamino)benzamide?
2-amino-3-(2-morpholin-4-ylethylamino)benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-morpholin-4-ylethylamino)benzamide is sourced from PubChem (CID 113332479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).