N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide

C15H14N2O5 — CID 58929108

IUPACN-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5/c1-10(18)16-11-3-8-14(21-2)15(9-11)22-13-6-4-12(5-7-13)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHQQTZMMMSQZGBD-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.35
Rot. Bonds5

About N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide

N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide (PubChem CID 58929108) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
PubChem CID58929108
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O5/c1-10(18)16-11-3-8-14(21-2)15(9-11)22-13-6-4-12(5-7-13)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyHQQTZMMMSQZGBD-UHFFFAOYSA-N
XLogP3.35
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.35
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'}

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Related Compounds

N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
[3-methyl-4-(4-nitrophenoxy)phenyl]carbamic acid
CID 69145418
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
N-[4-(4-nitrophenoxy)-3-(trifluoromethyl)phenyl]carbamate
CID 69143330
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide (CID 58929108) is N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide is COc1ccc(NC(C)=O)cc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide?
The InChIKey is HQQTZMMMSQZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-10(18)16-11-3-8-14(21-2)15(9-11)22-13-6-4-12(5-7-13)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide?
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide has a molecular weight of 302.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide is sourced from PubChem (CID 58929108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).