N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide

C16H23N3O5 — CID 110506922

IUPACN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])c(OCC)cc1OCC
InChIInChI=1S/C16H23N3O5/c1-4-7-8-16(20)18-17-11-12-9-13(19(21)22)15(24-6-3)10-14(12)23-5-2/h9-11H,4-8H2,1-3H3,(H,18,20)/b17-11+
InChIKeyVUMQYHQGVBTTPT-GZTJUZNOSA-N
MW337.38 g/mol
LogP3.03
Rot. Bonds10

About N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide

N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide (PubChem CID 110506922) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
PubChem CID110506922
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])c(OCC)cc1OCC
InChIInChI=1S/C16H23N3O5/c1-4-7-8-16(20)18-17-11-12-9-13(19(21)22)15(24-6-3)10-14(12)23-5-2/h9-11H,4-8H2,1-3H3,(H,18,20)/b17-11+
InChIKeyVUMQYHQGVBTTPT-GZTJUZNOSA-N
XLogP3.03
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pentanamide
CID 136712228
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506678
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506874
N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 110509446
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
3-chloro-N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506565
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506861
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136689283
1-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508738

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide (CID 110506922) is N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])c(OCC)cc1OCC.
What is the InChIKey of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide?
The InChIKey is VUMQYHQGVBTTPT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-4-7-8-16(20)18-17-11-12-9-13(19(21)22)15(24-6-3)10-14(12)23-5-2/h9-11H,4-8H2,1-3H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide?
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide has a molecular weight of 337.38 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).