N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide

C13H19NO3 — CID 103920159

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-11(9-15)14-13(16)10(2)17-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyPOXNTQWKZIAJFT-RRKGBCIJSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds6

About N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide

N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide (PubChem CID 103920159) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
PubChem CID103920159
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-11(9-15)14-13(16)10(2)17-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyPOXNTQWKZIAJFT-RRKGBCIJSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide (CID 103920159) is N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide is CC[C@H](CO)NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide?
The InChIKey is POXNTQWKZIAJFT-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-11(9-15)14-13(16)10(2)17-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 103920159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).