N-butan-2-yl-2-hydroxy-2-phenylacetamide

C12H17NO2 — CID 60674876

IUPACN-butan-2-yl-2-hydroxy-2-phenylacetamide
SMILESCCC(C)NC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9(2)13-12(15)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15)
InChIKeyGTFQJLPMVRKSKB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds4

About N-butan-2-yl-2-hydroxy-2-phenylacetamide

N-butan-2-yl-2-hydroxy-2-phenylacetamide (PubChem CID 60674876) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butan-2-yl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-hydroxy-2-phenylacetamide
PubChem CID60674876
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butan-2-yl-2-hydroxy-2-phenylacetamide
SMILESCCC(C)NC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9(2)13-12(15)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15)
InChIKeyGTFQJLPMVRKSKB-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
CID 110879934
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 126008908
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]butyl]benzoate
CID 14579287
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-butan-2-yl-2-hydroxy-2-phenylacetamide (CID 60674876) is N-butan-2-yl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-butan-2-yl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-butan-2-yl-2-hydroxy-2-phenylacetamide is CCC(C)NC(=O)C(O)c1ccccc1.
What is the InChIKey of N-butan-2-yl-2-hydroxy-2-phenylacetamide?
The InChIKey is GTFQJLPMVRKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9(2)13-12(15)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-hydroxy-2-phenylacetamide?
N-butan-2-yl-2-hydroxy-2-phenylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 60674876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).