N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide

C13H19NO3 — CID 93032349

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
SMILESCC[C@H](CO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyWHHXENFPOUCVQN-LLVKDONJSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide

N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide (PubChem CID 93032349) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
PubChem CID93032349
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
SMILESCC[C@H](CO)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyWHHXENFPOUCVQN-LLVKDONJSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide (CID 93032349) is N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide is CC[C@H](CO)NC(=O)CCOc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide?
The InChIKey is WHHXENFPOUCVQN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide?
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 7 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]-3-phenoxypropanamide is sourced from PubChem (CID 93032349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).