N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide

C15H21N3O5 — CID 110506874

IUPACN-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(OCC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-4-6-7-14(19)17-16-10-11-8-12(18(20)21)15(22-3)13(9-11)23-5-2/h8-10H,4-7H2,1-3H3,(H,17,19)/b16-10+
InChIKeyJETXQBQHIJJZLU-MHWRWJLKSA-N
MW323.35 g/mol
LogP2.64
Rot. Bonds9

About N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide

N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide (PubChem CID 110506874) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide
PubChem CID110506874
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC NameN-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(OCC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-4-6-7-14(19)17-16-10-11-8-12(18(20)21)15(22-3)13(9-11)23-5-2/h8-10H,4-7H2,1-3H3,(H,17,19)/b16-10+
InChIKeyJETXQBQHIJJZLU-MHWRWJLKSA-N
XLogP2.64
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.64
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)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506861
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]pentanamide
CID 110506854
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506922
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 110506741
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 110515301
N-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124549994
N-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanamide
CID 110511469
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
1-[(E)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508698
N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737
2-(4-chlorophenyl)-N-[(Z)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110515753

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide (CID 110506874) is N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1cc(OCC)c(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide?
The InChIKey is JETXQBQHIJJZLU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-4-6-7-14(19)17-16-10-11-8-12(18(20)21)15(22-3)13(9-11)23-5-2/h8-10H,4-7H2,1-3H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide?
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide has a molecular weight of 323.35 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).