3-(morpholin-4-ylmethyl)-N-pentylbenzamide

C17H26N2O2 — CID 92685635

IUPAC3-(morpholin-4-ylmethyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-8-18-17(20)16-7-5-6-15(13-16)14-19-9-11-21-12-10-19/h5-7,13H,2-4,8-12,14H2,1H3,(H,18,20)
InChIKeyJBQCTDXWNNJAGG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds7

About 3-(morpholin-4-ylmethyl)-N-pentylbenzamide

3-(morpholin-4-ylmethyl)-N-pentylbenzamide (PubChem CID 92685635) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-pentylbenzamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-pentylbenzamide
PubChem CID92685635
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(morpholin-4-ylmethyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-8-18-17(20)16-7-5-6-15(13-16)14-19-9-11-21-12-10-19/h5-7,13H,2-4,8-12,14H2,1H3,(H,18,20)
InChIKeyJBQCTDXWNNJAGG-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 46772184
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
CID 92682584
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-pentylbenzamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-pentylbenzamide (CID 92685635) is 3-(morpholin-4-ylmethyl)-N-pentylbenzamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-pentylbenzamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-pentylbenzamide is CCCCCNC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-pentylbenzamide?
The InChIKey is JBQCTDXWNNJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-8-18-17(20)16-7-5-6-15(13-16)14-19-9-11-21-12-10-19/h5-7,13H,2-4,8-12,14H2,1H3,(H,18,20).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-pentylbenzamide?
3-(morpholin-4-ylmethyl)-N-pentylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-pentylbenzamide is sourced from PubChem (CID 92685635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).