(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide

C16H24N2O2 — CID 42044572

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)N/N=C/CC(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)/b17-7+/t14-/m1/s1
InChIKeySBKBUULMXGOCAV-BYNSURFDSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds6

About (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide

(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide (PubChem CID 42044572) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide
PubChem CID42044572
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)N/N=C/CC(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)/b17-7+/t14-/m1/s1
InChIKeySBKBUULMXGOCAV-BYNSURFDSA-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

2-(3,5-dimethylphenoxy)-N-(3-methylbutylideneamino)propanamide
CID 19168532
(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 (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide (CID 42044572) is (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide is Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/CC(C)C)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide?
The InChIKey is SBKBUULMXGOCAV-BYNSURFDSA-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)/b17-7+/t14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-[(E)-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 (2R)-2-(3,5-dimethylphenoxy)-N-[(E)-3-methylbutylideneamino]propanamide is sourced from PubChem (CID 42044572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).