2-benzylmorpholine-3-carboxamide

C12H16N2O2 — CID 174842413

IUPAC2-benzylmorpholine-3-carboxamide
SMILESNC(=O)C1NCCOC1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-12(15)11-10(16-7-6-14-11)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)
InChIKeyIYEMXKLRZWVAOJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.07
Rot. Bonds3

About 2-benzylmorpholine-3-carboxamide

2-benzylmorpholine-3-carboxamide (PubChem CID 174842413) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-benzylmorpholine-3-carboxamide.

Molecular Properties

Compound Name2-benzylmorpholine-3-carboxamide
PubChem CID174842413
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-benzylmorpholine-3-carboxamide
SMILESNC(=O)C1NCCOC1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-12(15)11-10(16-7-6-14-11)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)
InChIKeyIYEMXKLRZWVAOJ-UHFFFAOYSA-N
XLogP0.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
CID 120935072
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2-benzyloxan-3-yl)methanamine
CID 79367759
(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931120
(2-benzyloxolan-3-yl)methanamine
CID 79368410
carbamic acid;3-methyl-2-phenylmorpholine
CID 22214019
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
3-benzyl-1,4-oxazepan-2-ol
CID 173091475
(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
CID 45277508

Frequently Asked Questions

What is the IUPAC name of 2-benzylmorpholine-3-carboxamide?
The IUPAC name of 2-benzylmorpholine-3-carboxamide (CID 174842413) is 2-benzylmorpholine-3-carboxamide.
What is the SMILES notation for 2-benzylmorpholine-3-carboxamide?
The canonical SMILES for 2-benzylmorpholine-3-carboxamide is NC(=O)C1NCCOC1Cc1ccccc1.
What is the InChIKey of 2-benzylmorpholine-3-carboxamide?
The InChIKey is IYEMXKLRZWVAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(15)11-10(16-7-6-14-11)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15).
What are the key properties of 2-benzylmorpholine-3-carboxamide?
2-benzylmorpholine-3-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylmorpholine-3-carboxamide is sourced from PubChem (CID 174842413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).