N-(butylideneamino)-2-phenoxypropanamide

C13H18N2O2 — CID 4633642

IUPACN-(butylideneamino)-2-phenoxypropanamide
SMILESCCCC=NNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-4-10-14-15-13(16)11(2)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16)
InChIKeyRXIJZYDBITZEAO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.36
Rot. Bonds6

About N-(butylideneamino)-2-phenoxypropanamide

N-(butylideneamino)-2-phenoxypropanamide (PubChem CID 4633642) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(butylideneamino)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(butylideneamino)-2-phenoxypropanamide
PubChem CID4633642
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(butylideneamino)-2-phenoxypropanamide
SMILESCCCC=NNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-4-10-14-15-13(16)11(2)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16)
InChIKeyRXIJZYDBITZEAO-UHFFFAOYSA-N
XLogP2.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.36
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

(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
N-ethyl-2-phenoxypropanamide
CID 4282518
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
CID 19172252
(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 5396029
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
N-methyl-2-phenoxypropanamide
CID 4626974
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
CID 6821492

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)-2-phenoxypropanamide?
The IUPAC name of N-(butylideneamino)-2-phenoxypropanamide (CID 4633642) is N-(butylideneamino)-2-phenoxypropanamide.
What is the SMILES notation for N-(butylideneamino)-2-phenoxypropanamide?
The canonical SMILES for N-(butylideneamino)-2-phenoxypropanamide is CCCC=NNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(butylideneamino)-2-phenoxypropanamide?
The InChIKey is RXIJZYDBITZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-10-14-15-13(16)11(2)17-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(butylideneamino)-2-phenoxypropanamide?
N-(butylideneamino)-2-phenoxypropanamide has a molecular weight of 234.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)-2-phenoxypropanamide is sourced from PubChem (CID 4633642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).