N-(5-nitro-2-propoxyphenyl)decanamide

C19H30N2O4 — CID 23276615

IUPACN-(5-nitro-2-propoxyphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OCCC
InChIInChI=1S/C19H30N2O4/c1-3-5-6-7-8-9-10-11-19(22)20-17-15-16(21(23)24)12-13-18(17)25-14-4-2/h12-13,15H,3-11,14H2,1-2H3,(H,20,22)
InChIKeyONERUSIPYPARFC-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.46
Rot. Bonds13

About N-(5-nitro-2-propoxyphenyl)decanamide

N-(5-nitro-2-propoxyphenyl)decanamide (PubChem CID 23276615) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(5-nitro-2-propoxyphenyl)decanamide.

Molecular Properties

Compound NameN-(5-nitro-2-propoxyphenyl)decanamide
PubChem CID23276615
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(5-nitro-2-propoxyphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OCCC
InChIInChI=1S/C19H30N2O4/c1-3-5-6-7-8-9-10-11-19(22)20-17-15-16(21(23)24)12-13-18(17)25-14-4-2/h12-13,15H,3-11,14H2,1-2H3,(H,20,22)
InChIKeyONERUSIPYPARFC-UHFFFAOYSA-N
XLogP5.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
CID 70586700
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
2-(heptanoylamino)-4-nitrobenzoic acid
CID 63110783
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-[5-nitro-2-[(2R,3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyphenyl]hexadecanamide
CID 21125177
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
2-decoxy-5-nitrobenzaldehyde
CID 25058968

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-propoxyphenyl)decanamide?
The IUPAC name of N-(5-nitro-2-propoxyphenyl)decanamide (CID 23276615) is N-(5-nitro-2-propoxyphenyl)decanamide.
What is the SMILES notation for N-(5-nitro-2-propoxyphenyl)decanamide?
The canonical SMILES for N-(5-nitro-2-propoxyphenyl)decanamide is CCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1OCCC.
What is the InChIKey of N-(5-nitro-2-propoxyphenyl)decanamide?
The InChIKey is ONERUSIPYPARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-3-5-6-7-8-9-10-11-19(22)20-17-15-16(21(23)24)12-13-18(17)25-14-4-2/h12-13,15H,3-11,14H2,1-2H3,(H,20,22).
What are the key properties of N-(5-nitro-2-propoxyphenyl)decanamide?
N-(5-nitro-2-propoxyphenyl)decanamide has a molecular weight of 350.46 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-propoxyphenyl)decanamide is sourced from PubChem (CID 23276615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).