N-benzyl-3-morpholin-4-ium-4-ylpropanamide

C14H21N2O2+ — CID 2219773

IUPACN-benzyl-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)NCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(6-7-16-8-10-18-11-9-16)15-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17)/p+1
InChIKeyZATUEDUCQWTNPE-UHFFFAOYSA-O
MW249.33 g/mol
LogP-0.39
Rot. Bonds5

About N-benzyl-3-morpholin-4-ium-4-ylpropanamide

N-benzyl-3-morpholin-4-ium-4-ylpropanamide (PubChem CID 2219773) has the molecular formula C14H21N2O2+ and a molecular weight of 249.33 g/mol. Its IUPAC name is N-benzyl-3-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-morpholin-4-ium-4-ylpropanamide
PubChem CID2219773
Molecular FormulaC14H21N2O2+
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-benzyl-3-morpholin-4-ium-4-ylpropanamide
SMILESO=C(CC[NH+]1CCOCC1)NCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(6-7-16-8-10-18-11-9-16)15-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17)/p+1
InChIKeyZATUEDUCQWTNPE-UHFFFAOYSA-O
XLogP-0.39
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide chloride
CID 15345
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N'-benzylbutanediamide
CID 4682951
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of N-benzyl-3-morpholin-4-ium-4-ylpropanamide (CID 2219773) is N-benzyl-3-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for N-benzyl-3-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for N-benzyl-3-morpholin-4-ium-4-ylpropanamide is O=C(CC[NH+]1CCOCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-morpholin-4-ium-4-ylpropanamide?
The InChIKey is ZATUEDUCQWTNPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O2/c17-14(6-7-16-8-10-18-11-9-16)15-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,17)/p+1.
What are the key properties of N-benzyl-3-morpholin-4-ium-4-ylpropanamide?
N-benzyl-3-morpholin-4-ium-4-ylpropanamide has a molecular weight of 249.33 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 2219773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).