N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide

C15H23NO3 — CID 62521933

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
SMILESCCC(CC)(CO)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyNDYAJGUOLGMATH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 62521933) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID62521933
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
SMILESCCC(CC)(CO)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3,(H,16,18)
InChIKeyNDYAJGUOLGMATH-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
N-(3-cyanopentan-3-yl)-2-methoxy-2-phenylacetamide
CID 55037243
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
2-cyclopropyl-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 62099240

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide (CID 62521933) is N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide is CCC(CC)(CO)NC(=O)C(OC)c1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is NDYAJGUOLGMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2,11-17)16-14(18)13(19-3)12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 265.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 62521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).