4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide

C18H20N2O4 — CID 4936149

IUPAC4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H20N2O4/c1-3-4-11-24-16-8-5-14(6-9-16)18(21)19-17-10-7-15(20(22)23)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyUQVQSLIDWRKEEL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.33
Rot. Bonds7

About 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide

4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 4936149) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID4936149
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H20N2O4/c1-3-4-11-24-16-8-5-14(6-9-16)18(21)19-17-10-7-15(20(22)23)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyUQVQSLIDWRKEEL-UHFFFAOYSA-N
XLogP4.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 19170787
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
4-butoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2899922
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-4-nitrophenyl)butanamide
CID 19237087
N-(4-butoxy-2-methylphenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 52719706

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide (CID 4936149) is 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is UQVQSLIDWRKEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-4-11-24-16-8-5-14(6-9-16)18(21)19-17-10-7-15(20(22)23)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3,(H,19,21).
What are the key properties of 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide?
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 4936149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).