ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide

C23H38N2O5 — CID 91030549

IUPACethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide
SMILESCC.CC.CC.CC.CNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1OC
InChIInChI=1S/C15H14N2O5.4C2H6/c1-16-15(18)13-9-12(7-8-14(13)21-2)22-11-5-3-10(4-6-11)17(19)20;4*1-2/h3-9H,1-2H3,(H,16,18);4*1-2H3
InChIKeyOLAIRACSYOLVDV-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.86
Rot. Bonds5

About ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide

ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide (PubChem CID 91030549) has the molecular formula C23H38N2O5 and a molecular weight of 422.57 g/mol. Its IUPAC name is ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound Nameethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide
PubChem CID91030549
Molecular FormulaC23H38N2O5
Molecular Weight422.57 g/mol
Exact Mass422.28
IUPAC Nameethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide
SMILESCC.CC.CC.CC.CNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1OC
InChIInChI=1S/C15H14N2O5.4C2H6/c1-16-15(18)13-9-12(7-8-14(13)21-2)22-11-5-3-10(4-6-11)17(19)20;4*1-2/h3-9H,1-2H3,(H,16,18);4*1-2H3
InChIKeyOLAIRACSYOLVDV-UHFFFAOYSA-N
XLogP6.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.86
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

2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
methyl 2-methoxy-5-(4-nitrophenyl)benzoate
CID 69207939
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
2-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119434119
2-hydroxy-5-(4-nitrophenoxy)benzoic acid
CID 21492504
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methyl-5-nitrobenzamide
CID 86938923
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide?
The IUPAC name of ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide (CID 91030549) is ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide.
What is the SMILES notation for ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide?
The canonical SMILES for ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide is CC.CC.CC.CC.CNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1OC.
What is the InChIKey of ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide?
The InChIKey is OLAIRACSYOLVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5.4C2H6/c1-16-15(18)13-9-12(7-8-14(13)21-2)22-11-5-3-10(4-6-11)17(19)20;4*1-2/h3-9H,1-2H3,(H,16,18);4*1-2H3.
What are the key properties of ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide?
ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide has a molecular weight of 422.57 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-methyl-5-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 91030549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).