N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

C21H26N2O6 — CID 3406860

IUPACN-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H26N2O6/c1-4-27-18-8-9-19(20(13-18)23(25)26)22-21(24)14-29-17-7-5-6-16(12-17)28-11-10-15(2)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,22,24)
InChIKeyDUFBUDGGYUQLAU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.44
Rot. Bonds11

About N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide

N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (PubChem CID 3406860) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
PubChem CID3406860
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
SMILESCCOc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H26N2O6/c1-4-27-18-8-9-19(20(13-18)23(25)26)22-21(24)14-29-17-7-5-6-16(12-17)28-11-10-15(2)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,22,24)
InChIKeyDUFBUDGGYUQLAU-UHFFFAOYSA-N
XLogP4.44
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.44
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

N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 41073202
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 86689284
N-(2,4-dichlorophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide
CID 1036548
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
2-[[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913604
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide (CID 3406860) is N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is CCOc1ccc(NC(=O)COc2cccc(OCCC(C)C)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
The InChIKey is DUFBUDGGYUQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-4-27-18-8-9-19(20(13-18)23(25)26)22-21(24)14-29-17-7-5-6-16(12-17)28-11-10-15(2)3/h5-9,12-13,15H,4,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide?
N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide has a molecular weight of 402.45 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2-[3-(3-methylbutoxy)phenoxy]acetamide is sourced from PubChem (CID 3406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).