N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide

C14H21NO3 — CID 62332724

IUPACN-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(C)CC(C)O
InChIInChI=1S/C14H21NO3/c1-4-13(14(17)15(3)10-11(2)16)18-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyAKFPOCSAUNTHEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide

N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide (PubChem CID 62332724) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
PubChem CID62332724
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)N(C)CC(C)O
InChIInChI=1S/C14H21NO3/c1-4-13(14(17)15(3)10-11(2)16)18-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3
InChIKeyAKFPOCSAUNTHEO-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide (CID 62332724) is N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide?
The InChIKey is AKFPOCSAUNTHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-13(14(17)15(3)10-11(2)16)18-12-8-6-5-7-9-12/h5-9,11,13,16H,4,10H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide?
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide is sourced from PubChem (CID 62332724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).