N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide

C16H21NO3 — CID 75386334

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
SMILESCC(C)COCC(O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-13(2)11-20-12-15(18)10-17-16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,10-12H2,1-2H3,(H,17,19)
InChIKeyGLVNCSVMFJZCHN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds6

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide (PubChem CID 75386334) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
PubChem CID75386334
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
SMILESCC(C)COCC(O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-13(2)11-20-12-15(18)10-17-16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,10-12H2,1-2H3,(H,17,19)
InChIKeyGLVNCSVMFJZCHN-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
CID 87007219
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
CID 87007221
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
CID 111697721
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide (CID 75386334) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide is CC(C)COCC(O)CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide?
The InChIKey is GLVNCSVMFJZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-13(2)11-20-12-15(18)10-17-16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,18H,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide has a molecular weight of 275.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 75386334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).