N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide

C15H19NO2 — CID 61245293

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide
SMILESCC(C)CC(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-12(2)10-14(11-17)16-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14,17H,10-11H2,1-2H3,(H,16,18)
InChIKeyKJYIKSMMFRPPMJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.56
Rot. Bonds4

About N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide (PubChem CID 61245293) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide
PubChem CID61245293
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide
SMILESCC(C)CC(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-12(2)10-14(11-17)16-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14,17H,10-11H2,1-2H3,(H,16,18)
InChIKeyKJYIKSMMFRPPMJ-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-phenylprop-2-ynoylamino)pentanoic acid
CID 24694027
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
CID 70540620
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 45370794
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
methyl 3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate
CID 43623176
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
3-phenyl-3-(3-phenylprop-2-ynoylamino)propanoic acid
CID 24705189

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide (CID 61245293) is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide is CC(C)CC(CO)NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide?
The InChIKey is KJYIKSMMFRPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(2)10-14(11-17)16-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14,17H,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide has a molecular weight of 245.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 61245293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).