N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide

C22H24N4O5 — CID 58929138

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide
SMILESCC(C)(Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C22H24N4O5/c1-22(2,21(27)24-12-5-14-25-15-13-23-16-25)31-20-7-4-3-6-19(20)30-18-10-8-17(9-11-18)26(28)29/h3-4,6-11,13,15-16H,5,12,14H2,1-2H3,(H,24,27)
InChIKeyUKEFXGDHJCTSRE-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.95
Rot. Bonds10

About N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide

N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide (PubChem CID 58929138) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide
PubChem CID58929138
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide
SMILESCC(C)(Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C22H24N4O5/c1-22(2,21(27)24-12-5-14-25-15-13-23-16-25)31-20-7-4-3-6-19(20)30-18-10-8-17(9-11-18)26(28)29/h3-4,6-11,13,15-16H,5,12,14H2,1-2H3,(H,24,27)
InChIKeyUKEFXGDHJCTSRE-UHFFFAOYSA-N
XLogP3.95
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[2-(4-nitrophenoxy)phenoxy]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 58929081
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
CID 134809431
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 1414644
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577
3-imidazol-1-yl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 61494970
2-imidazol-1-yl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 61462949
2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 124879616
2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17066757
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide (CID 58929138) is N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide is CC(C)(Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide?
The InChIKey is UKEFXGDHJCTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-22(2,21(27)24-12-5-14-25-15-13-23-16-25)31-20-7-4-3-6-19(20)30-18-10-8-17(9-11-18)26(28)29/h3-4,6-11,13,15-16H,5,12,14H2,1-2H3,(H,24,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide has a molecular weight of 424.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-2-[2-(4-nitrophenoxy)phenoxy]propanamide is sourced from PubChem (CID 58929138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).