(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide

C15H22N2O3 — CID 95636050

IUPAC(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O3/c1-19-9-7-16-15(18)14-12-17(8-10-20-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyWOPCWSHPXBEYCT-AWEZNQCLSA-N
MW278.35 g/mol
LogP0.65
Rot. Bonds6

About (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide

(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide (PubChem CID 95636050) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
PubChem CID95636050
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O3/c1-19-9-7-16-15(18)14-12-17(8-10-20-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyWOPCWSHPXBEYCT-AWEZNQCLSA-N
XLogP0.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
N-(2-methoxyethyl)-4-[(5-phenoxycyclohexa-2,4-dien-1-yl)methyl]morpholine-2-carboxamide
CID 146564409
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
(2S)-4-benzyl-N-[3-(1,3-thiazol-2-yl)propyl]morpholine-2-carboxamide
CID 97215996
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 95284860
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide (CID 95636050) is (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide is COCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide?
The InChIKey is WOPCWSHPXBEYCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-9-7-16-15(18)14-12-17(8-10-20-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide?
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95636050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).