N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide

C17H26N2O2 — CID 2164117

IUPACN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)15-4-6-16(7-5-15)17(20)18-8-3-9-19-10-12-21-13-11-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)
InChIKeySXLKRIURSYUVKP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide

N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide (PubChem CID 2164117) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
PubChem CID2164117
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(2)15-4-6-16(7-5-15)17(20)18-8-3-9-19-10-12-21-13-11-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)
InChIKeySXLKRIURSYUVKP-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide (CID 2164117) is N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide?
The InChIKey is SXLKRIURSYUVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)15-4-6-16(7-5-15)17(20)18-8-3-9-19-10-12-21-13-11-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide?
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 2164117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).