N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide

C17H24N2O3 — CID 111108348

IUPACN-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
SMILESC#CCN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C17H24N2O3/c1-5-10-19(13(2)3)11-16(21)12-22-17-8-6-15(7-9-17)18-14(4)20/h1,6-9,13,16,21H,10-12H2,2-4H3,(H,18,20)
InChIKeyUYOKXAIXYJARJU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.73
Rot. Bonds8

About N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide (PubChem CID 111108348) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
PubChem CID111108348
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide
SMILESC#CCN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C17H24N2O3/c1-5-10-19(13(2)3)11-16(21)12-22-17-8-6-15(7-9-17)18-14(4)20/h1,6-9,13,16,21H,10-12H2,2-4H3,(H,18,20)
InChIKeyUYOKXAIXYJARJU-UHFFFAOYSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]-propan-2-ylamino]acetate
CID 47526880
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide (CID 111108348) is N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide is C#CCN(CC(O)COc1ccc(NC(C)=O)cc1)C(C)C.
What is the InChIKey of N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide?
The InChIKey is UYOKXAIXYJARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-10-19(13(2)3)11-16(21)12-22-17-8-6-15(7-9-17)18-14(4)20/h1,6-9,13,16,21H,10-12H2,2-4H3,(H,18,20).
What are the key properties of N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-[propan-2-yl(prop-2-ynyl)amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 111108348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).