N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide

C13H19NO2 — CID 82350206

IUPACN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-13(9-15)8-14-11(2)16/h3-6,13,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFBKVVZCPAAFGLT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds5

About N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide (PubChem CID 82350206) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
PubChem CID82350206
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NCC(CO)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-13(9-15)8-14-11(2)16/h3-6,13,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFBKVVZCPAAFGLT-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide (CID 82350206) is N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide is CC(=O)NCC(CO)Cc1ccc(C)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
The InChIKey is FBKVVZCPAAFGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-13(9-15)8-14-11(2)16/h3-6,13,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide?
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 82350206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).