N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide

C14H20N3O3+ — CID 2697515

IUPACN-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O3/c18-13(11-17-6-8-20-9-7-17)16-14(19)15-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16,18,19)/p+1
InChIKeyBBYWGJJXRVMJFT-UHFFFAOYSA-O
MW278.33 g/mol
LogP-1.07
Rot. Bonds4

About N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide

N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2697515) has the molecular formula C14H20N3O3+ and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID2697515
Molecular FormulaC14H20N3O3+
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O3/c18-13(11-17-6-8-20-9-7-17)16-14(19)15-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16,18,19)/p+1
InChIKeyBBYWGJJXRVMJFT-UHFFFAOYSA-O
XLogP-1.07
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-morpholin-4-ium-4-ylpropanamide
CID 2219773
N-(benzylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118126
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 3532070
1-benzyl-3-morpholin-4-ylurea
CID 107653208
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
CID 146126778
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide (CID 2697515) is N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is BBYWGJJXRVMJFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3O3/c18-13(11-17-6-8-20-9-7-17)16-14(19)15-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16,18,19)/p+1.
What are the key properties of N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide?
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 278.33 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2697515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).