2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide

C18H21N3O3 — CID 42997705

IUPAC2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(14-7-5-4-6-8-14)12-19-18(22)16-11-15(21(23)24)9-10-17(16)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,22)
InChIKeyUBSZDWXUPBVBMT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.19
Rot. Bonds6

About 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide

2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide (PubChem CID 42997705) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
PubChem CID42997705
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(14-7-5-4-6-8-14)12-19-18(22)16-11-15(21(23)24)9-10-17(16)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,22)
InChIKeyUBSZDWXUPBVBMT-UHFFFAOYSA-N
XLogP3.19
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574
2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
CID 7826091
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55457788
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 47163635
5-nitro-N-[(2R)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9456895
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide (CID 42997705) is 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide?
The InChIKey is UBSZDWXUPBVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(14-7-5-4-6-8-14)12-19-18(22)16-11-15(21(23)24)9-10-17(16)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,22).
What are the key properties of 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide?
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 42997705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).