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

C15H22N2O2 — CID 103548407

IUPACN-(morpholin-3-ylmethyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1COCCN1
InChIInChI=1S/C15H22N2O2/c18-15(17-11-14-12-19-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,17,18)
InChIKeyCKYSVIUPFPYIFM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.11
Rot. Bonds6

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

N-(morpholin-3-ylmethyl)-4-phenylbutanamide (PubChem CID 103548407) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-4-phenylbutanamide
PubChem CID103548407
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(morpholin-3-ylmethyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1COCCN1
InChIInChI=1S/C15H22N2O2/c18-15(17-11-14-12-19-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,17,18)
InChIKeyCKYSVIUPFPYIFM-UHFFFAOYSA-N
XLogP1.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-4-phenylbutanamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-4-phenylbutanamide (CID 103548407) is N-(morpholin-3-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC1COCCN1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-4-phenylbutanamide?
The InChIKey is CKYSVIUPFPYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(17-11-14-12-19-10-9-16-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2,(H,17,18).
What are the key properties of N-(morpholin-3-ylmethyl)-4-phenylbutanamide?
N-(morpholin-3-ylmethyl)-4-phenylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 103548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).