2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide

C16H17N3O4 — CID 23625204

IUPAC2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide
SMILESNC(=O)CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O4/c17-16(20)10-18-9-12-3-7-15(8-4-12)23-11-13-1-5-14(6-2-13)19(21)22/h1-8,18H,9-11H2,(H2,17,20)
InChIKeyRHNXUKDDIOAEGX-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.75
Rot. Bonds8

About 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide

2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide (PubChem CID 23625204) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide
PubChem CID23625204
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide
SMILESNC(=O)CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O4/c17-16(20)10-18-9-12-3-7-15(8-4-12)23-11-13-1-5-14(6-2-13)19(21)22/h1-8,18H,9-11H2,(H2,17,20)
InChIKeyRHNXUKDDIOAEGX-UHFFFAOYSA-N
XLogP1.75
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]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

(S)-4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl dimethylcarbamate
CID 6918635
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
Mls002706796
CID 273306
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
2-[4-(4-Nitrobenzyloxy)phenyl]ethylamine
CID 11579920
[4-[1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 57518900
[4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818703
[4-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68822327
(S)-N2-{4-[(4-nitrobenzyl)oxy]benzyl}serinamide
CID 23625356
N-[3-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 309293
N-{4-[(4-nitrobenzyl)oxy]benzyl}aniline
CID 975892
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide?
The IUPAC name of 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide (CID 23625204) is 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide.
What is the SMILES notation for 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide?
The canonical SMILES for 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide is NC(=O)CNCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide?
The InChIKey is RHNXUKDDIOAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c17-16(20)10-18-9-12-3-7-15(8-4-12)23-11-13-1-5-14(6-2-13)19(21)22/h1-8,18H,9-11H2,(H2,17,20).
What are the key properties of 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide?
2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetamide is sourced from PubChem (CID 23625204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).