2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide

C16H24N2O2 — CID 19168532

IUPAC2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NN=CCC(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)6-7-17-18-16(19)14(5)20-15-9-12(3)8-13(4)10-15/h7-11,14H,6H2,1-5H3,(H,18,19)
InChIKeySBKBUULMXGOCAV-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide

2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide (PubChem CID 19168532) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide
PubChem CID19168532
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NN=CCC(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)6-7-17-18-16(19)14(5)20-15-9-12(3)8-13(4)10-15/h7-11,14H,6H2,1-5H3,(H,18,19)
InChIKeySBKBUULMXGOCAV-UHFFFAOYSA-N
XLogP3.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
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)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide
CID 42044572
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
N-(butylideneamino)-2-phenoxypropanamide
CID 4633642
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
CID 129439724
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135886344

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide (CID 19168532) is 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide is Cc1cc(C)cc(OC(C)C(=O)NN=CCC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide?
The InChIKey is SBKBUULMXGOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)6-7-17-18-16(19)14(5)20-15-9-12(3)8-13(4)10-15/h7-11,14H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide?
2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide is sourced from PubChem (CID 19168532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).