N-(4-ethoxy-2-nitrophenyl)pentanamide

C13H18N2O4 — CID 4295410

IUPACN-(4-ethoxy-2-nitrophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-3-5-6-13(16)14-11-8-7-10(19-4-2)9-12(11)15(17)18/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyOEJNJCZAMNQTMN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds7

About N-(4-ethoxy-2-nitrophenyl)pentanamide

N-(4-ethoxy-2-nitrophenyl)pentanamide (PubChem CID 4295410) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)pentanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)pentanamide
PubChem CID4295410
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(4-ethoxy-2-nitrophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-3-5-6-13(16)14-11-8-7-10(19-4-2)9-12(11)15(17)18/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyOEJNJCZAMNQTMN-UHFFFAOYSA-N
XLogP3.12
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 18886242
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775
2-(diethylamino)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoic acid
CID 18886251
2-[[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913604
2-(3-acetamidophenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 18870056

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)pentanamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)pentanamide (CID 4295410) is N-(4-ethoxy-2-nitrophenyl)pentanamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)pentanamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)pentanamide is CCCCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)pentanamide?
The InChIKey is OEJNJCZAMNQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-5-6-13(16)14-11-8-7-10(19-4-2)9-12(11)15(17)18/h7-9H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)pentanamide?
N-(4-ethoxy-2-nitrophenyl)pentanamide has a molecular weight of 266.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)pentanamide is sourced from PubChem (CID 4295410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).