4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide

C17H18N2O4 — CID 2908679

IUPAC4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)Cc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-12(10-13-6-4-3-5-7-13)18-17(20)14-8-9-16(23-2)15(11-14)19(21)22/h3-9,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyQPMCCOZFWNKLKB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.96
Rot. Bonds6

About 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide

4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 2908679) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID2908679
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)Cc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-12(10-13-6-4-3-5-7-13)18-17(20)14-8-9-16(23-2)15(11-14)19(21)22/h3-9,11-12H,10H2,1-2H3,(H,18,20)
InChIKeyQPMCCOZFWNKLKB-UHFFFAOYSA-N
XLogP2.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-(5-chloropentan-2-yl)-4-methoxy-3-nitrobenzamide
CID 114305964
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 14747473
methyl (2R)-2-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylbutanoate
CID 40818518
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
3-methoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 81084501
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxy-3-nitrobenzoate
CID 8708447
4-methoxy-N-[(1S)-1-naphthalen-2-ylethyl]-3-nitrobenzamide
CID 7733620
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
CID 55778948

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide (CID 2908679) is 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide is COc1ccc(C(=O)NC(C)Cc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is QPMCCOZFWNKLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12(10-13-6-4-3-5-7-13)18-17(20)14-8-9-16(23-2)15(11-14)19(21)22/h3-9,11-12H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide?
4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 314.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 2908679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).