N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide

C16H21NO3 — CID 103021864

IUPACN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)c1cccc(C#CCO)c1
InChIInChI=1S/C16H21NO3/c1-12(17-15(19)16(2,3)20-4)14-9-5-7-13(11-14)8-6-10-18/h5,7,9,11-12,18H,10H2,1-4H3,(H,17,19)
InChIKeyYSTQQVWISDWFBV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.63
Rot. Bonds4

About N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide

N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 103021864) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide
PubChem CID103021864
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)c1cccc(C#CCO)c1
InChIInChI=1S/C16H21NO3/c1-12(17-15(19)16(2,3)20-4)14-9-5-7-13(11-14)8-6-10-18/h5,7,9,11-12,18H,10H2,1-4H3,(H,17,19)
InChIKeyYSTQQVWISDWFBV-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.63
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-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 102922419
1-cyclobutyl-3-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]urea
CID 116658753
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 65215264
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021832
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
CID 79755724
methyl 2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]-3-methylbutanoate
CID 60816558
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide (CID 103021864) is N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(C)c1cccc(C#CCO)c1.
What is the InChIKey of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is YSTQQVWISDWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(17-15(19)16(2,3)20-4)14-9-5-7-13(11-14)8-6-10-18/h5,7,9,11-12,18H,10H2,1-4H3,(H,17,19).
What are the key properties of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide?
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103021864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).