N-methyl-N-(4-nitrophenyl)octanamide

C15H22N2O3 — CID 71368131

IUPACN-methyl-N-(4-nitrophenyl)octanamide
SMILESCCCCCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-15(18)16(2)13-9-11-14(12-10-13)17(19)20/h9-12H,3-8H2,1-2H3
InChIKeyGVZQSHYXIICJLU-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.92
Rot. Bonds8

About N-methyl-N-(4-nitrophenyl)octanamide

N-methyl-N-(4-nitrophenyl)octanamide (PubChem CID 71368131) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)octanamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)octanamide
PubChem CID71368131
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-methyl-N-(4-nitrophenyl)octanamide
SMILESCCCCCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-15(18)16(2)13-9-11-14(12-10-13)17(19)20/h9-12H,3-8H2,1-2H3
InChIKeyGVZQSHYXIICJLU-UHFFFAOYSA-N
XLogP3.92
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
CID 107907357
N-methyl-N-phenylnonanamide
CID 54136731
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-hexyl-N-methyl-4-nitroaniline
CID 10799823
N-(4-carbamothioylphenyl)-N-methyloctanamide
CID 62971888
N-(4-nitrophenyl)tridecanamide
CID 86103066
(4-nitrophenyl) hexacosanoate
CID 10907416
N-(4-nitrophenyl)hexadecanamide
CID 14087849
dodecanoic acid;nitrobenzene;zinc
CID 174895076
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)octanamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)octanamide (CID 71368131) is N-methyl-N-(4-nitrophenyl)octanamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)octanamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)octanamide is CCCCCCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)octanamide?
The InChIKey is GVZQSHYXIICJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-15(18)16(2)13-9-11-14(12-10-13)17(19)20/h9-12H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)octanamide?
N-methyl-N-(4-nitrophenyl)octanamide has a molecular weight of 278.35 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)octanamide is sourced from PubChem (CID 71368131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).