(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide

C14H21NO3 — CID 15408094

IUPAC(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)C[C@H](CO)C(=O)NOCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)8-13(9-16)14(17)15-18-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeySKVIKUVSOOGZDV-CYBMUJFWSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds7

About (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide

(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide (PubChem CID 15408094) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide
PubChem CID15408094
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)C[C@H](CO)C(=O)NOCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)8-13(9-16)14(17)15-18-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeySKVIKUVSOOGZDV-CYBMUJFWSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide (CID 15408094) is (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide is CC(C)C[C@H](CO)C(=O)NOCc1ccccc1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide?
The InChIKey is SKVIKUVSOOGZDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)8-13(9-16)14(17)15-18-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide?
(2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-4-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 15408094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).