3-methyl-2-phenoxypentanamide

C12H17NO2 — CID 173059765

IUPAC3-methyl-2-phenoxypentanamide
SMILESCCC(C)C(Oc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NO2/c1-3-9(2)11(12(13)14)15-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyAFSZNVNEHAJVKB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds5

About 3-methyl-2-phenoxypentanamide

3-methyl-2-phenoxypentanamide (PubChem CID 173059765) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methyl-2-phenoxypentanamide.

Molecular Properties

Compound Name3-methyl-2-phenoxypentanamide
PubChem CID173059765
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methyl-2-phenoxypentanamide
SMILESCCC(C)C(Oc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NO2/c1-3-9(2)11(12(13)14)15-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyAFSZNVNEHAJVKB-UHFFFAOYSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yl 3-methyl-2-phenoxybutanoate
CID 166438385
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
3-hydroxy-2-phenoxypropanamide
CID 91367159
3-phenoxybutan-2-yl carbamate
CID 67862078
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
ethyl 1-phenoxyethyl carbonate
CID 173360681
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
4-amino-2-methyl-6-phenoxyoctan-3-one
CID 144532396
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
4-methoxy-2-phenoxybutanamide
CID 154446744

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenoxypentanamide?
The IUPAC name of 3-methyl-2-phenoxypentanamide (CID 173059765) is 3-methyl-2-phenoxypentanamide.
What is the SMILES notation for 3-methyl-2-phenoxypentanamide?
The canonical SMILES for 3-methyl-2-phenoxypentanamide is CCC(C)C(Oc1ccccc1)C(N)=O.
What is the InChIKey of 3-methyl-2-phenoxypentanamide?
The InChIKey is AFSZNVNEHAJVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9(2)11(12(13)14)15-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3-methyl-2-phenoxypentanamide?
3-methyl-2-phenoxypentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenoxypentanamide is sourced from PubChem (CID 173059765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).