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

C13H17NO2 — CID 169465372

IUPACN-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(CO)cc1C
InChIInChI=1S/C13H17NO2/c1-10-8-12(9-15)5-6-13(10)4-3-7-14-11(2)16/h3-6,8,15H,7,9H2,1-2H3,(H,14,16)
InChIKeyHHQZBVULMYDMGY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds4

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

N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide (PubChem CID 169465372) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
PubChem CID169465372
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(CO)cc1C
InChIInChI=1S/C13H17NO2/c1-10-8-12(9-15)5-6-13(10)4-3-7-14-11(2)16/h3-6,8,15H,7,9H2,1-2H3,(H,14,16)
InChIKeyHHQZBVULMYDMGY-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(hydroxymethyl)-2-methylphenyl]but-3-enyl]acetamide
CID 170488595
N-[3-[2-methyl-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465937
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
[4-(4-bromobut-1-enyl)-3-methylphenyl]methanol
CID 170497372
[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enal
CID 169459014
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
methyl 3-(3-acetamidoprop-1-enyl)-4-methylbenzoate
CID 169465993
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide (CID 169465372) is N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(CO)cc1C.
What is the InChIKey of N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide?
The InChIKey is HHQZBVULMYDMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-8-12(9-15)5-6-13(10)4-3-7-14-11(2)16/h3-6,8,15H,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide?
N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).