3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide

C18H20N2O5 — CID 4702465

IUPAC3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N2O5/c1-12(13-4-6-15(7-5-13)20(22)23)11-19-18(21)14-8-16(24-2)10-17(9-14)25-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyWEGRVABGVIXNNE-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.15
Rot. Bonds7

About 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide

3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide (PubChem CID 4702465) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
PubChem CID4702465
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H20N2O5/c1-12(13-4-6-15(7-5-13)20(22)23)11-19-18(21)14-8-16(24-2)10-17(9-14)25-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyWEGRVABGVIXNNE-UHFFFAOYSA-N
XLogP3.15
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.15
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

3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
CID 102377978
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702488
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
N-[(2S)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297065
N-[(2R)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297064
2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702472
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824
2-bromo-2,2-difluoro-N-[2-(4-nitrophenyl)propyl]acetamide
CID 4702443
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide (CID 4702465) is 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide is COc1cc(OC)cc(C(=O)NCC(C)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide?
The InChIKey is WEGRVABGVIXNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(13-4-6-15(7-5-13)20(22)23)11-19-18(21)14-8-16(24-2)10-17(9-14)25-3/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide?
3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide is sourced from PubChem (CID 4702465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).