N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide

C15H19NO2 — CID 101254348

IUPACN-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide
SMILESCC(C)(C)NC(=O)C(O)CC#Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-14(18)13(17)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,17H,11H2,1-3H3,(H,16,18)
InChIKeyYFMKHHNFHAXKJU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.70
Rot. Bonds2

About N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide

N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide (PubChem CID 101254348) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide
PubChem CID101254348
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide
SMILESCC(C)(C)NC(=O)C(O)CC#Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(2,3)16-14(18)13(17)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,17H,11H2,1-3H3,(H,16,18)
InChIKeyYFMKHHNFHAXKJU-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.70
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

(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
(E,2S)-N-tert-butyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 138982397
(E,2S)-N-tert-butyl-4-(2-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982597
(E,2S)-N-tert-butyl-4-(4-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982598
(E,2S)-N-tert-butyl-4-(3-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982786
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
5-[2-(3-fluorophenyl)ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-propylhepta-2,4,6-trienamide
CID 123533304
2-butan-2-yl-5-[2-(3-fluorophenyl)ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)hepta-2,4,6-trienamide
CID 123756370
(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 11535992
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331
N-phenethyl-(4r)-hydroxypentanamide
CID 129850626

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide?
The IUPAC name of N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide (CID 101254348) is N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide is CC(C)(C)NC(=O)C(O)CC#Cc1ccccc1.
What is the InChIKey of N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide?
The InChIKey is YFMKHHNFHAXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)16-14(18)13(17)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13,17H,11H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide?
N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide has a molecular weight of 245.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-5-phenylpent-4-ynamide is sourced from PubChem (CID 101254348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).