N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide

C19H23N3O5 — CID 46446745

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23N3O5/c1-21(2)17(14-8-10-15(26-3)11-9-14)12-20-19(23)13-27-18-7-5-4-6-16(18)22(24)25/h4-11,17H,12-13H2,1-3H3,(H,20,23)
InChIKeyHYUQFLBSPCLXOY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.40
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 46446745) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
PubChem CID46446745
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23N3O5/c1-21(2)17(14-8-10-15(26-3)11-9-14)12-20-19(23)13-27-18-7-5-4-6-16(18)22(24)25/h4-11,17H,12-13H2,1-3H3,(H,20,23)
InChIKeyHYUQFLBSPCLXOY-UHFFFAOYSA-N
XLogP2.40
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.40
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-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 43019832
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 42387340
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 45001824
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 43005744
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide (CID 46446745) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide is COc1ccc(C(CNC(=O)COc2ccccc2[N+](=O)[O-])N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is HYUQFLBSPCLXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-21(2)17(14-8-10-15(26-3)11-9-14)12-20-19(23)13-27-18-7-5-4-6-16(18)22(24)25/h4-11,17H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 46446745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).