N-(4-nitrophenyl)tridecanamide

C19H30N2O3 — CID 86103066

IUPACN-(4-nitrophenyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)20-17-13-15-18(16-14-17)21(23)24/h13-16H,2-12H2,1H3,(H,20,22)
InChIKeyPQZVSMQCBNYJCX-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.84
Rot. Bonds13

About N-(4-nitrophenyl)tridecanamide

N-(4-nitrophenyl)tridecanamide (PubChem CID 86103066) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(4-nitrophenyl)tridecanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)tridecanamide
PubChem CID86103066
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(4-nitrophenyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)20-17-13-15-18(16-14-17)21(23)24/h13-16H,2-12H2,1H3,(H,20,22)
InChIKeyPQZVSMQCBNYJCX-UHFFFAOYSA-N
XLogP5.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
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

N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
4-nitro-N-octadecanoylbenzamide
CID 102032095
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)tridecanamide?
The IUPAC name of N-(4-nitrophenyl)tridecanamide (CID 86103066) is N-(4-nitrophenyl)tridecanamide.
What is the SMILES notation for N-(4-nitrophenyl)tridecanamide?
The canonical SMILES for N-(4-nitrophenyl)tridecanamide is CCCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)tridecanamide?
The InChIKey is PQZVSMQCBNYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19(22)20-17-13-15-18(16-14-17)21(23)24/h13-16H,2-12H2,1H3,(H,20,22).
What are the key properties of N-(4-nitrophenyl)tridecanamide?
N-(4-nitrophenyl)tridecanamide has a molecular weight of 334.46 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)tridecanamide is sourced from PubChem (CID 86103066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).