3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide

C24H24N2O5 — CID 55408434

IUPAC3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-17(19-10-7-11-21(14-19)26(28)29)25(2)24(27)20-12-13-22(23(15-20)30-3)31-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3
InChIKeyFCIHCMJTWRTQSO-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.02
Rot. Bonds8

About 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide

3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide (PubChem CID 55408434) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
PubChem CID55408434
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-17(19-10-7-11-21(14-19)26(28)29)25(2)24(27)20-12-13-22(23(15-20)30-3)31-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3
InChIKeyFCIHCMJTWRTQSO-UHFFFAOYSA-N
XLogP5.02
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
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

1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490
4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55408209
3-(tert-butylsulfamoyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46566213
2-benzyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46601351
3-bromo-5-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-propoxybenzamide
CID 46566250
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(3-nitrophenyl)methyl]-3-phenylpropan-1-amine
CID 23794044
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
2-[(4-methoxybenzoyl)-methylamino]-2-(3-nitrophenyl)acetic acid
CID 50901821
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide (CID 55408434) is 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)N(C)C(C)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is FCIHCMJTWRTQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17(19-10-7-11-21(14-19)26(28)29)25(2)24(27)20-12-13-22(23(15-20)30-3)31-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide?
3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 420.47 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 55408434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).