N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide

C18H20N2O6 — CID 138563912

IUPACN-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H20N2O6/c1-25-12-7-8-15(20(23)24)14(11-12)16(21)9-10-19-18(22)13-5-3-4-6-17(13)26-2/h3-8,11,16,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyZQWXNRZGUJIOLB-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.47
Rot. Bonds8

About N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide

N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide (PubChem CID 138563912) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide
PubChem CID138563912
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H20N2O6/c1-25-12-7-8-15(20(23)24)14(11-12)16(21)9-10-19-18(22)13-5-3-4-6-17(13)26-2/h3-8,11,16,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyZQWXNRZGUJIOLB-UHFFFAOYSA-N
XLogP2.47
TPSA110.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-nitrobenzamide
CID 121133067
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methyl-3-nitrobenzamide
CID 121133079
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
N-(3-aminobutyl)-4,5-dimethoxy-2-nitrobenzamide
CID 63253631
5-methoxy-2-nitro-N-[2-[(S)-phenylsulfinyl]ethyl]benzamide
CID 96515513
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide?
The IUPAC name of N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide (CID 138563912) is N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide is COc1ccc([N+](=O)[O-])c(C(O)CCNC(=O)c2ccccc2OC)c1.
What is the InChIKey of N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide?
The InChIKey is ZQWXNRZGUJIOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-25-12-7-8-15(20(23)24)14(11-12)16(21)9-10-19-18(22)13-5-3-4-6-17(13)26-2/h3-8,11,16,21H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide?
N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(5-methoxy-2-nitrophenyl)propyl]-2-methoxybenzamide is sourced from PubChem (CID 138563912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).