(2S)-2-(4-benzylphenoxy)-2-methylpentanamide

C19H23NO2 — CID 92967593

IUPAC(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
SMILESCCC[C@](C)(Oc1ccc(Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H23NO2/c1-3-13-19(2,18(20)21)22-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21)/t19-/m0/s1
InChIKeyVRJXCSYRCCALAO-IBGZPJMESA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-(4-benzylphenoxy)-2-methylpentanamide

(2S)-2-(4-benzylphenoxy)-2-methylpentanamide (PubChem CID 92967593) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(4-benzylphenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
PubChem CID92967593
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
SMILESCCC[C@](C)(Oc1ccc(Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H23NO2/c1-3-13-19(2,18(20)21)22-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21)/t19-/m0/s1
InChIKeyVRJXCSYRCCALAO-IBGZPJMESA-N
XLogP3.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylphenoxy)-2-methylpentanamide?
The IUPAC name of (2S)-2-(4-benzylphenoxy)-2-methylpentanamide (CID 92967593) is (2S)-2-(4-benzylphenoxy)-2-methylpentanamide.
What is the SMILES notation for (2S)-2-(4-benzylphenoxy)-2-methylpentanamide?
The canonical SMILES for (2S)-2-(4-benzylphenoxy)-2-methylpentanamide is CCC[C@](C)(Oc1ccc(Cc2ccccc2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-(4-benzylphenoxy)-2-methylpentanamide?
The InChIKey is VRJXCSYRCCALAO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-13-19(2,18(20)21)22-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-benzylphenoxy)-2-methylpentanamide?
(2S)-2-(4-benzylphenoxy)-2-methylpentanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylphenoxy)-2-methylpentanamide is sourced from PubChem (CID 92967593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).