N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide

C21H25N3O5 — CID 18161642

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5/c1-28-18-8-6-16(7-9-18)20(23-10-12-29-13-11-23)15-22-21(25)14-17-4-2-3-5-19(17)24(26)27/h2-9,20H,10-15H2,1H3,(H,22,25)
InChIKeyTVWNRCCIMVDRDB-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide (PubChem CID 18161642) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
PubChem CID18161642
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5/c1-28-18-8-6-16(7-9-18)20(23-10-12-29-13-11-23)15-22-21(25)14-17-4-2-3-5-19(17)24(26)27/h2-9,20H,10-15H2,1H3,(H,22,25)
InChIKeyTVWNRCCIMVDRDB-UHFFFAOYSA-N
XLogP2.34
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.34
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

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 31205189
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55331234
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 42387340
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide (CID 18161642) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide is COc1ccc(C(CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is TVWNRCCIMVDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-28-18-8-6-16(7-9-18)20(23-10-12-29-13-11-23)15-22-21(25)14-17-4-2-3-5-19(17)24(26)27/h2-9,20H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 18161642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).