N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide

C12H16N2O2 — CID 79285478

IUPACN-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccccc1CO
InChIInChI=1S/C12H16N2O2/c1-2-7-13-8-12(16)14-11-6-4-3-5-10(11)9-15/h2-6,13,15H,1,7-9H2,(H,14,16)
InChIKeyXIWFPXZRYITXQY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.89
Rot. Bonds6

About N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide

N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285478) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285478
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccccc1CO
InChIInChI=1S/C12H16N2O2/c1-2-7-13-8-12(16)14-11-6-4-3-5-10(11)9-15/h2-6,13,15H,1,7-9H2,(H,14,16)
InChIKeyXIWFPXZRYITXQY-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
2-(prop-2-enylamino)-N-quinolin-5-ylacetamide
CID 112723293
N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 78908313
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285478) is N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is XIWFPXZRYITXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-7-13-8-12(16)14-11-6-4-3-5-10(11)9-15/h2-6,13,15H,1,7-9H2,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 220.27 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).