N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide

C16H25NO3 — CID 106166979

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C16H25NO3/c1-4-14(20-13-9-7-6-8-10-13)15(19)17-16(3,5-2)11-12-18/h6-10,14,18H,4-5,11-12H2,1-3H3,(H,17,19)
InChIKeyHHWNBUYJFNXTGH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.51
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide (PubChem CID 106166979) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide
PubChem CID106166979
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C16H25NO3/c1-4-14(20-13-9-7-6-8-10-13)15(19)17-16(3,5-2)11-12-18/h6-10,14,18H,4-5,11-12H2,1-3H3,(H,17,19)
InChIKeyHHWNBUYJFNXTGH-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
CID 62042624
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
CID 106176498
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(2-methylprop-2-enyl)-2-phenoxybutanamide
CID 114618279
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide (CID 106166979) is N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC(C)(CC)CCO.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide?
The InChIKey is HHWNBUYJFNXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-14(20-13-9-7-6-8-10-13)15(19)17-16(3,5-2)11-12-18/h6-10,14,18H,4-5,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide has a molecular weight of 279.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide is sourced from PubChem (CID 106166979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).