2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide

C15H19NO3 — CID 115495948

IUPAC2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C15H19NO3/c1-4-9-16-15(18)12(3)19-14-7-5-13(6-8-14)10-11(2)17/h1,5-8,11-12,17H,9-10H2,2-3H3,(H,16,18)
InChIKeyMWJBIMWJFIENOD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide

2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 115495948) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID115495948
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C15H19NO3/c1-4-9-16-15(18)12(3)19-14-7-5-13(6-8-14)10-11(2)17/h1,5-8,11-12,17H,9-10H2,2-3H3,(H,16,18)
InChIKeyMWJBIMWJFIENOD-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
CID 43326439
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
2-methyl-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915575
2-[4-(difluoromethoxy)phenyl]-N-prop-2-ynylacetamide
CID 78808200

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide (CID 115495948) is 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(CC(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is MWJBIMWJFIENOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-9-16-15(18)12(3)19-14-7-5-13(6-8-14)10-11(2)17/h1,5-8,11-12,17H,9-10H2,2-3H3,(H,16,18).
What are the key properties of 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 115495948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).