N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide

C12H18N2O2 — CID 65193879

IUPACN-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-10(8-13)14-12(16)7-9-3-5-11(15)6-4-9/h3-6,10,15H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyMTAHLVGHTUMXHK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide

N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 65193879) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
PubChem CID65193879
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-2-10(8-13)14-12(16)7-9-3-5-11(15)6-4-9/h3-6,10,15H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyMTAHLVGHTUMXHK-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
CID 103579156
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
N-(1-aminobutan-2-yl)-2-(cyclohexen-1-yl)acetamide
CID 65193722
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 65190967
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide (CID 65193879) is N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide is CCC(CN)NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is MTAHLVGHTUMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10(8-13)14-12(16)7-9-3-5-11(15)6-4-9/h3-6,10,15H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide?
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 65193879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).