2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide

C21H25N3O3 — CID 2812678

IUPAC2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c25-20(17-7-2-1-3-8-17)23-19-10-5-4-9-18(19)21(26)22-11-6-12-24-13-15-27-16-14-24/h1-5,7-10H,6,11-16H2,(H,22,26)(H,23,25)
InChIKeyYKVJCMCXZZUJAV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.39
Rot. Bonds7

About 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide

2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2812678) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2812678
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25N3O3/c25-20(17-7-2-1-3-8-17)23-19-10-5-4-9-18(19)21(26)22-11-6-12-24-13-15-27-16-14-24/h1-5,7-10H,6,11-16H2,(H,22,26)(H,23,25)
InChIKeyYKVJCMCXZZUJAV-UHFFFAOYSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide (CID 2812678) is 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide is O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YKVJCMCXZZUJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(17-7-2-1-3-8-17)23-19-10-5-4-9-18(19)21(26)22-11-6-12-24-13-15-27-16-14-24/h1-5,7-10H,6,11-16H2,(H,22,26)(H,23,25).
What are the key properties of 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide?
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).