4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide

C21H24N2O3 — CID 109045457

IUPAC4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(22-12-4-7-17-5-2-1-3-6-17)18-8-10-19(11-9-18)21(25)23-13-15-26-16-14-23/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,24)
InChIKeyQJURAKASCJZEIR-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.52
Rot. Bonds6

About 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide

4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide (PubChem CID 109045457) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
PubChem CID109045457
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(22-12-4-7-17-5-2-1-3-6-17)18-8-10-19(11-9-18)21(25)23-13-15-26-16-14-23/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,24)
InChIKeyQJURAKASCJZEIR-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.52
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

6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide (CID 109045457) is 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide?
The InChIKey is QJURAKASCJZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-12-4-7-17-5-2-1-3-6-17)18-8-10-19(11-9-18)21(25)23-13-15-26-16-14-23/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,24).
What are the key properties of 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide?
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 109045457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).