N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide

C20H23N3O6 — CID 18870365

IUPACN-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)COc2cccc(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-20(2,3)19(25)21-13-6-5-7-15(10-13)29-12-18(24)22-16-9-8-14(28-4)11-17(16)23(26)27/h5-11H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyDNKPCZAQQODUIK-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.61
Rot. Bonds7

About N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide

N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide (PubChem CID 18870365) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
PubChem CID18870365
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC NameN-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)COc2cccc(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-20(2,3)19(25)21-13-6-5-7-15(10-13)29-12-18(24)22-16-9-8-14(28-4)11-17(16)23(26)27/h5-11H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyDNKPCZAQQODUIK-UHFFFAOYSA-N
XLogP3.61
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.61
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

2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18870453
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870351
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide (CID 18870365) is N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide is COc1ccc(NC(=O)COc2cccc(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
The InChIKey is DNKPCZAQQODUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-20(2,3)19(25)21-13-6-5-7-15(10-13)29-12-18(24)22-16-9-8-14(28-4)11-17(16)23(26)27/h5-11H,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide?
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide has a molecular weight of 401.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18870365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).