3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide

C17H18N2O7 — CID 17101962

IUPAC3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O7/c1-23-13-6-5-11(9-12(13)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20)
InChIKeyUWFYOKNLIVQYOI-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.88
Rot. Bonds7

About 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide

3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide (PubChem CID 17101962) has the molecular formula C17H18N2O7 and a molecular weight of 362.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
PubChem CID17101962
Molecular FormulaC17H18N2O7
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O7/c1-23-13-6-5-11(9-12(13)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20)
InChIKeyUWFYOKNLIVQYOI-UHFFFAOYSA-N
XLogP2.88
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
CID 75484436
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide (CID 17101962) is 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide is COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
The InChIKey is UWFYOKNLIVQYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7/c1-23-13-6-5-11(9-12(13)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20).
What are the key properties of 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide?
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide has a molecular weight of 362.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide is sourced from PubChem (CID 17101962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).