(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide

C18H28N2O2 — CID 137015289

IUPAC(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide
SMILESCC(C)[C@H](/N=C/c1cccc(C(C)(C)C)c1O)C(=O)N(C)C
InChIInChI=1S/C18H28N2O2/c1-12(2)15(17(22)20(6)7)19-11-13-9-8-10-14(16(13)21)18(3,4)5/h8-12,15,21H,1-7H3/b19-11+/t15-/m0/s1
InChIKeyMQPPHVPWVSRDPO-BKQORJHRSA-N
MW304.43 g/mol
LogP3.22
Rot. Bonds4

About (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide

(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide (PubChem CID 137015289) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide
PubChem CID137015289
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide
SMILESCC(C)[C@H](/N=C/c1cccc(C(C)(C)C)c1O)C(=O)N(C)C
InChIInChI=1S/C18H28N2O2/c1-12(2)15(17(22)20(6)7)19-11-13-9-8-10-14(16(13)21)18(3,4)5/h8-12,15,21H,1-7H3/b19-11+/t15-/m0/s1
InChIKeyMQPPHVPWVSRDPO-BKQORJHRSA-N
XLogP3.22
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
(2S)-2-[[3-[3-[[(1S)-1-carboxy-2,2-dimethylpropyl]iminomethyl]-2-hydroxyphenyl]-2-hydroxyphenyl]methylideneamino]-3,3-dimethylbutanoic acid
CID 135512582
CID 135424866
CID 135424866
2-tert-butyl-6-[[(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-methylsulfanylbutyl]iminomethyl]phenol
CID 135507674
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
CID 5255158
(2S)-2-[(2-formylphenyl)methylideneamino]-3-methylbutanoic acid
CID 138964075
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
CID 136842036
2-(1-adamantyliminomethyl)-6-tert-butylphenol
CID 136773230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide?
The IUPAC name of (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide (CID 137015289) is (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide is CC(C)[C@H](/N=C/c1cccc(C(C)(C)C)c1O)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide?
The InChIKey is MQPPHVPWVSRDPO-BKQORJHRSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)15(17(22)20(6)7)19-11-13-9-8-10-14(16(13)21)18(3,4)5/h8-12,15,21H,1-7H3/b19-11+/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide?
(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-N,N,3-trimethylbutanamide is sourced from PubChem (CID 137015289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).