N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide

C23H22N2O5 — CID 27865742

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide
SMILESCOc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O5/c1-16-7-6-10-19(22(16)25(27)28)23(26)24-14-18-11-12-20(21(13-18)29-2)30-15-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyWUOSJVRYHKHBSV-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.42
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide (PubChem CID 27865742) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide
PubChem CID27865742
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide
SMILESCOc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O5/c1-16-7-6-10-19(22(16)25(27)28)23(26)24-14-18-11-12-20(21(13-18)29-2)30-15-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyWUOSJVRYHKHBSV-UHFFFAOYSA-N
XLogP4.42
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.42
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

N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-nitrobenzamide
CID 17070151
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
N-(3-benzyl-4-methoxyphenyl)-3-methyl-2-nitrobenzamide
CID 42371636
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide (CID 27865742) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide is COc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide?
The InChIKey is WUOSJVRYHKHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-16-7-6-10-19(22(16)25(27)28)23(26)24-14-18-11-12-20(21(13-18)29-2)30-15-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide has a molecular weight of 406.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 27865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).