N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide

C21H24N2O4 — CID 78789738

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H24N2O4/c24-15-18-6-8-19(9-7-18)27-16-21(25)22-12-20-14-23(10-11-26-20)13-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,22,25)
InChIKeyLVNHSPCGSNYWNR-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.90
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide (PubChem CID 78789738) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
PubChem CID78789738
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H24N2O4/c24-15-18-6-8-19(9-7-18)27-16-21(25)22-12-20-14-23(10-11-26-20)13-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,22,25)
InChIKeyLVNHSPCGSNYWNR-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 42895596
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26900131
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
CID 59866910
CID 59866910

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide (CID 78789738) is N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)NCC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide?
The InChIKey is LVNHSPCGSNYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-15-18-6-8-19(9-7-18)27-16-21(25)22-12-20-14-23(10-11-26-20)13-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,22,25).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide has a molecular weight of 368.43 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 78789738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).