N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide

C16H15N3O7 — CID 580265

IUPACN-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
SMILESCOc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O7/c1-25-14-3-2-4-15(10-14)26-6-5-17-16(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h2-4,7-10H,5-6H2,1H3,(H,17,20)
InChIKeyUHGLMYOSMOEXLV-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.32
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide

N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide (PubChem CID 580265) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
PubChem CID580265
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
SMILESCOc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O7/c1-25-14-3-2-4-15(10-14)26-6-5-17-16(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h2-4,7-10H,5-6H2,1H3,(H,17,20)
InChIKeyUHGLMYOSMOEXLV-UHFFFAOYSA-N
XLogP2.32
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide 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

N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
CID 143923153
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
5-nitro-1-N,3-N-bis[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzene-1,3-dicarboxamide
CID 3900364
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
CID 44764822
ethyl 3-[2-(4-ethoxyphenoxy)ethylcarbamoyl]-5-nitrobenzoate
CID 9022612
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
3-methoxy-N-[2-[(5-nitropyrimidin-2-yl)amino]ethyl]benzamide
CID 133467918

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide (CID 580265) is N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide is COc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide?
The InChIKey is UHGLMYOSMOEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-25-14-3-2-4-15(10-14)26-6-5-17-16(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h2-4,7-10H,5-6H2,1H3,(H,17,20).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide?
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide has a molecular weight of 361.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 580265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).