N-(heptylideneamino)-4-nitrobenzamide

C14H19N3O3 — CID 4526908

IUPACN-(heptylideneamino)-4-nitrobenzamide
SMILESCCCCCCC=NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O3/c1-2-3-4-5-6-11-15-16-14(18)12-7-9-13(10-8-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18)
InChIKeyIRUPSQDOTZILNE-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.28
Rot. Bonds8

About N-(heptylideneamino)-4-nitrobenzamide

N-(heptylideneamino)-4-nitrobenzamide (PubChem CID 4526908) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(heptylideneamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(heptylideneamino)-4-nitrobenzamide
PubChem CID4526908
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(heptylideneamino)-4-nitrobenzamide
SMILESCCCCCCC=NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O3/c1-2-3-4-5-6-11-15-16-14(18)12-7-9-13(10-8-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18)
InChIKeyIRUPSQDOTZILNE-UHFFFAOYSA-N
XLogP3.28
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(dodecylideneamino)-3,5-dinitrobenzamide
CID 3258147
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
4-nitro-N-octadecanoylbenzamide
CID 102032095
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506613
N-[[decylsulfanyl(methylsulfanyl)methylidene]amino]-4-nitrobenzamide
CID 76517590
N-[(Z)-[decylsulfanyl(methylsulfanyl)methylidene]amino]-4-nitrobenzamide
CID 57343003
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
N-[(E)-2-[2-(4-methylpent-3-enyl)-1,3-dithiolan-2-yl]ethylideneamino]-4-nitrobenzamide
CID 59693051
N-(4-nitrophenyl)tridecanamide
CID 86103066

Frequently Asked Questions

What is the IUPAC name of N-(heptylideneamino)-4-nitrobenzamide?
The IUPAC name of N-(heptylideneamino)-4-nitrobenzamide (CID 4526908) is N-(heptylideneamino)-4-nitrobenzamide.
What is the SMILES notation for N-(heptylideneamino)-4-nitrobenzamide?
The canonical SMILES for N-(heptylideneamino)-4-nitrobenzamide is CCCCCCC=NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(heptylideneamino)-4-nitrobenzamide?
The InChIKey is IRUPSQDOTZILNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-3-4-5-6-11-15-16-14(18)12-7-9-13(10-8-12)17(19)20/h7-11H,2-6H2,1H3,(H,16,18).
What are the key properties of N-(heptylideneamino)-4-nitrobenzamide?
N-(heptylideneamino)-4-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(heptylideneamino)-4-nitrobenzamide is sourced from PubChem (CID 4526908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).