N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide

C15H19NO3 — CID 109476501

IUPACN-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-11-19-12-9-15(18)16-10-8-14(17)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,16,18)
InChIKeyUUSMKJFIJDYZRM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.27
Rot. Bonds8

About N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide

N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide (PubChem CID 109476501) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
PubChem CID109476501
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-11-19-12-9-15(18)16-10-8-14(17)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,16,18)
InChIKeyUUSMKJFIJDYZRM-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-prop-2-ynoxypropanamide
CID 146368927
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471793
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide (CID 109476501) is N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide is C#CCOCCC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide?
The InChIKey is UUSMKJFIJDYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-11-19-12-9-15(18)16-10-8-14(17)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,16,18).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide?
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 109476501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).