N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide

C17H26N2O2 — CID 2906693

IUPACN-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c20-17(9-4-8-16-6-2-1-3-7-16)18-10-5-11-19-12-14-21-15-13-19/h1-3,6-7H,4-5,8-15H2,(H,18,20)
InChIKeyVKONPXAMDLECPK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.85
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide

N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide (PubChem CID 2906693) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
PubChem CID2906693
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O2/c20-17(9-4-8-16-6-2-1-3-7-16)18-10-5-11-19-12-14-21-15-13-19/h1-3,6-7H,4-5,8-15H2,(H,18,20)
InChIKeyVKONPXAMDLECPK-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.85
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-phenylbutanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide (CID 2906693) is N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide?
The InChIKey is VKONPXAMDLECPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(9-4-8-16-6-2-1-3-7-16)18-10-5-11-19-12-14-21-15-13-19/h1-3,6-7H,4-5,8-15H2,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide?
N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.85, 8 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-phenylbutanamide is sourced from PubChem (CID 2906693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).