N-benzyl-2-hydroxypentanamide;ethane

C14H23NO2 — CID 168939873

IUPACN-benzyl-2-hydroxypentanamide;ethane
SMILESCC.CCCC(O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2.C2H6/c1-2-6-11(14)12(15)13-9-10-7-4-3-5-8-10;1-2/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15);1-2H3
InChIKeyMGHRQFORUZHVDL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-2-hydroxypentanamide;ethane

N-benzyl-2-hydroxypentanamide;ethane (PubChem CID 168939873) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-benzyl-2-hydroxypentanamide;ethane.

Molecular Properties

Compound NameN-benzyl-2-hydroxypentanamide;ethane
PubChem CID168939873
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-benzyl-2-hydroxypentanamide;ethane
SMILESCC.CCCC(O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17NO2.C2H6/c1-2-6-11(14)12(15)13-9-10-7-4-3-5-8-10;1-2/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15);1-2H3
InChIKeyMGHRQFORUZHVDL-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-hydroxypentanamide
CID 141058656
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749
2-amino-N-benzylpentanamide
CID 11020044
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
2,3-diamino-N-benzylbutanamide
CID 143155055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxypentanamide;ethane?
The IUPAC name of N-benzyl-2-hydroxypentanamide;ethane (CID 168939873) is N-benzyl-2-hydroxypentanamide;ethane.
What is the SMILES notation for N-benzyl-2-hydroxypentanamide;ethane?
The canonical SMILES for N-benzyl-2-hydroxypentanamide;ethane is CC.CCCC(O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-hydroxypentanamide;ethane?
The InChIKey is MGHRQFORUZHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-2-6-11(14)12(15)13-9-10-7-4-3-5-8-10;1-2/h3-5,7-8,11,14H,2,6,9H2,1H3,(H,13,15);1-2H3.
What are the key properties of N-benzyl-2-hydroxypentanamide;ethane?
N-benzyl-2-hydroxypentanamide;ethane has a molecular weight of 237.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxypentanamide;ethane is sourced from PubChem (CID 168939873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).