N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide

C17H18N2O5 — CID 139678187

IUPACN-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
SMILESCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(C)C)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)24-16-9-6-13(19(21)22)10-15(16)17(20)18-12-4-7-14(23-3)8-5-12/h4-11H,1-3H3,(H,18,20)
InChIKeyDAEZJTAUPUMSOD-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.64
Rot. Bonds6

About N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide

N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide (PubChem CID 139678187) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
PubChem CID139678187
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
SMILESCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(C)C)cc1
InChIInChI=1S/C17H18N2O5/c1-11(2)24-16-9-6-13(19(21)22)10-15(16)17(20)18-12-4-7-14(23-3)8-5-12/h4-11H,1-3H3,(H,18,20)
InChIKeyDAEZJTAUPUMSOD-UHFFFAOYSA-N
XLogP3.64
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.64
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

5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
CID 139678197
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
2-ethylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 579627
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide?
The IUPAC name of N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide (CID 139678187) is N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide is COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide?
The InChIKey is DAEZJTAUPUMSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11(2)24-16-9-6-13(19(21)22)10-15(16)17(20)18-12-4-7-14(23-3)8-5-12/h4-11H,1-3H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide?
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide is sourced from PubChem (CID 139678187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).