N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide

C12H16N2O2 — CID 18982737

IUPACN-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
SMILESC=C(C)CNc1ccc(NC(C)=O)c(O)c1
InChIInChI=1S/C12H16N2O2/c1-8(2)7-13-10-4-5-11(12(16)6-10)14-9(3)15/h4-6,13,16H,1,7H2,2-3H3,(H,14,15)
InChIKeySERUUTDJHBHQRG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.34
Rot. Bonds4

About N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide

N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide (PubChem CID 18982737) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
PubChem CID18982737
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
SMILESC=C(C)CNc1ccc(NC(C)=O)c(O)c1
InChIInChI=1S/C12H16N2O2/c1-8(2)7-13-10-4-5-11(12(16)6-10)14-9(3)15/h4-6,13,16H,1,7H2,2-3H3,(H,14,15)
InChIKeySERUUTDJHBHQRG-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
2-(3-hydroxy-4-methylanilino)-N-(2-hydroxyphenyl)acetamide
CID 150167454
(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate
CID 174819780
N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 54698690
5-(2-methylprop-2-enylamino)-2-(trifluoromethyl)benzoic acid
CID 114619119
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
2-methyl-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
CID 10059881
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide (CID 18982737) is N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide is C=C(C)CNc1ccc(NC(C)=O)c(O)c1.
What is the InChIKey of N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide?
The InChIKey is SERUUTDJHBHQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)7-13-10-4-5-11(12(16)6-10)14-9(3)15/h4-6,13,16H,1,7H2,2-3H3,(H,14,15).
What are the key properties of N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide?
N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide is sourced from PubChem (CID 18982737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).