N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide

C17H25N3O3 — CID 54813916

IUPACN-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-2-3-7-18-17(22)14-5-4-6-15(12-14)19-16(21)13-20-8-10-23-11-9-20/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,22)(H,19,21)
InChIKeyLICOOTHAGOEAPP-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.49
Rot. Bonds7

About N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide

N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide (PubChem CID 54813916) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
PubChem CID54813916
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-2-3-7-18-17(22)14-5-4-6-15(12-14)19-16(21)13-20-8-10-23-11-9-20/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,22)(H,19,21)
InChIKeyLICOOTHAGOEAPP-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 46974295

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The IUPAC name of N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide (CID 54813916) is N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The canonical SMILES for N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CN2CCOCC2)c1.
What is the InChIKey of N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The InChIKey is LICOOTHAGOEAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-3-7-18-17(22)14-5-4-6-15(12-14)19-16(21)13-20-8-10-23-11-9-20/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide has a molecular weight of 319.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 54813916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).