N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide

C13H19NO3 — CID 83031492

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

About N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide

N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide (PubChem CID 83031492) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
PubChem CID83031492
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC[C@@H](C)O
InChIInChI=1S/C13H19NO3/c1-3-12(13(16)14-9-10(2)15)17-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)/t10-,12?/m1/s1
InChIKeyMKHJYUXCLBKILG-RWANSRKNSA-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-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(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
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
3-methyl-2-[(2-phenoxybutanoylamino)methyl]butanoic acid
CID 65220479
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide (CID 83031492) is N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide?
The InChIKey is MKHJYUXCLBKILG-RWANSRKNSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-12(13(16)14-9-10(2)15)17-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,14,16)/t10-,12?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide?
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide 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)-2-hydroxypropyl]-2-phenoxybutanamide is sourced from PubChem (CID 83031492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).