N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide

C20H26N2O2 — CID 54784974

IUPACN-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCCCC/C(CC)=N/NC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O2/c1-4-6-11-18(5-2)21-22-20(23)15(3)24-19-13-12-16-9-7-8-10-17(16)14-19/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,23)/b21-18+
InChIKeyUWMYRXSILVZEAS-DYTRJAOYSA-N
MW326.44 g/mol
LogP4.68
Rot. Bonds8

About N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 54784974) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID54784974
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCCCC/C(CC)=N/NC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O2/c1-4-6-11-18(5-2)21-22-20(23)15(3)24-19-13-12-16-9-7-8-10-17(16)14-19/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,23)/b21-18+
InChIKeyUWMYRXSILVZEAS-DYTRJAOYSA-N
XLogP4.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
CID 8757699
(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135794374
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide
CID 54785044
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
5-[(Z)-C-methyl-N-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbonimidoyl]thiophene-2-carboxylate
CID 8860888
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
CID 8757642
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide (CID 54784974) is N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide is CCCC/C(CC)=N/NC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is UWMYRXSILVZEAS-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-6-11-18(5-2)21-22-20(23)15(3)24-19-13-12-16-9-7-8-10-17(16)14-19/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,23)/b21-18+.
What are the key properties of N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 326.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 54784974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).