2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide

C19H23N3O4 — CID 33117493

IUPAC2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-21(2)18-10-9-16(22(24)25)13-17(18)19(23)20-11-6-12-26-14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,23)
InChIKeyZCXIJLMAZLFXHH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.00
Rot. Bonds9

About 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide

2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 33117493) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide
PubChem CID33117493
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-21(2)18-10-9-16(22(24)25)13-17(18)19(23)20-11-6-12-26-14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,23)
InChIKeyZCXIJLMAZLFXHH-UHFFFAOYSA-N
XLogP3.00
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide (CID 33117493) is 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is ZCXIJLMAZLFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-21(2)18-10-9-16(22(24)25)13-17(18)19(23)20-11-6-12-26-14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide?
2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-nitro-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 33117493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).