N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide

C19H21N3O5 — CID 2192908

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c23-19(14-27-18-4-2-1-3-17(18)22(24)25)20-16-7-5-15(6-8-16)13-21-9-11-26-12-10-21/h1-8H,9-14H2,(H,20,23)
InChIKeyNMQHIEQZJSSMNJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.44
Rot. Bonds7

About N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide

N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 2192908) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID2192908
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c23-19(14-27-18-4-2-1-3-17(18)22(24)25)20-16-7-5-15(6-8-16)13-21-9-11-26-12-10-21/h1-8H,9-14H2,(H,20,23)
InChIKeyNMQHIEQZJSSMNJ-UHFFFAOYSA-N
XLogP2.44
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 108740869
2-(2,4-difluorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629949
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 26165130
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
2-(4-bromo-2-formylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 18284474
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide (CID 2192908) is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is NMQHIEQZJSSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-19(14-27-18-4-2-1-3-17(18)22(24)25)20-16-7-5-15(6-8-16)13-21-9-11-26-12-10-21/h1-8H,9-14H2,(H,20,23).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2192908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).