(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide

C15H23NO2 — CID 154648376

IUPAC(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
SMILESCCC[C@@H](CO)CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-7-13(11-17)10-15(18)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMGJIKEHZUBMVBV-QWHCGFSZSA-N
MW249.35 g/mol
LogP2.66
Rot. Bonds7

About (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide

(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide (PubChem CID 154648376) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
PubChem CID154648376
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
SMILESCCC[C@@H](CO)CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-7-13(11-17)10-15(18)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyMGJIKEHZUBMVBV-QWHCGFSZSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
5-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]hexanoic acid
CID 59855513
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-ethylpentan-1-ol;N-(1-phenylethyl)formamide
CID 154648381
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide (CID 154648376) is (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide is CCC[C@@H](CO)CC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide?
The InChIKey is MGJIKEHZUBMVBV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-7-13(11-17)10-15(18)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide?
(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide has a molecular weight of 249.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide is sourced from PubChem (CID 154648376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).