N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide

C14H21NO3 — CID 79191990

IUPACN-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
SMILESO=C(CCCCO)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-5-4-8-14(18)15(9-11-17)12-13-6-2-1-3-7-13/h1-3,6-7,16-17H,4-5,8-12H2
InChIKeyAWVVSQUJCKAWRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds8

About N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide

N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide (PubChem CID 79191990) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
PubChem CID79191990
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
SMILESO=C(CCCCO)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-5-4-8-14(18)15(9-11-17)12-13-6-2-1-3-7-13/h1-3,6-7,16-17H,4-5,8-12H2
InChIKeyAWVVSQUJCKAWRT-UHFFFAOYSA-N
XLogP1.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide?
The IUPAC name of N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide (CID 79191990) is N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide.
What is the SMILES notation for N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide?
The canonical SMILES for N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide is O=C(CCCCO)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide?
The InChIKey is AWVVSQUJCKAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-10-5-4-8-14(18)15(9-11-17)12-13-6-2-1-3-7-13/h1-3,6-7,16-17H,4-5,8-12H2.
What are the key properties of N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide?
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide is sourced from PubChem (CID 79191990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).