N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide

C18H19N3O6 — CID 9012039

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O6/c1-20(11-17(22)19-13-4-3-5-16(10-13)26-2)18(23)12-27-15-8-6-14(7-9-15)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyZWRYRWGNQKCQSF-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.08
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 9012039) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
PubChem CID9012039
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O6/c1-20(11-17(22)19-13-4-3-5-16(10-13)26-2)18(23)12-27-15-8-6-14(7-9-15)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyZWRYRWGNQKCQSF-UHFFFAOYSA-N
XLogP2.08
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
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

2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 7970505
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate
CID 34651074
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 9344187
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide (CID 9012039) is N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide is COc1cccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is ZWRYRWGNQKCQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-20(11-17(22)19-13-4-3-5-16(10-13)26-2)18(23)12-27-15-8-6-14(7-9-15)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 9012039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).