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

C17H18N2O5 — CID 977997

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O5/c1-23-15-6-2-13(3-7-15)10-11-18-17(20)12-24-16-8-4-14(5-9-16)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyDLNFULDYYCHPKB-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.34
Rot. Bonds8

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

N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 977997) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
PubChem CID977997
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N2O5/c1-23-15-6-2-13(3-7-15)10-11-18-17(20)12-24-16-8-4-14(5-9-16)19(21)22/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyDLNFULDYYCHPKB-UHFFFAOYSA-N
XLogP2.34
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etofamide
CID 65718
(S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
CID 6918635
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
N-((Phenylmethoxy)carbonyl)glycine 4-nitrophenyl ester
CID 15616
Mls002706796
CID 273306
4-[(4-Nitro-phenoxy)-phenyl-methyl]-piperidine
CID 9926786
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 1185801
N-methyl-4-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 14645095
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide (CID 977997) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide is COc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is DLNFULDYYCHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-15-6-2-13(3-7-15)10-11-18-17(20)12-24-16-8-4-14(5-9-16)19(21)22/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 977997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).