N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide

C17H23NO3 — CID 103021923

IUPACN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCCc1cc(C#CCCO)ccc1NC(=O)C(C)(C)OC
InChIInChI=1S/C17H23NO3/c1-5-14-12-13(8-6-7-11-19)9-10-15(14)18-16(20)17(2,3)21-4/h9-10,12,19H,5,7,11H2,1-4H3,(H,18,20)
InChIKeyGWAANFWUOPRDIE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds5

About N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide

N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103021923) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103021923
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCCc1cc(C#CCCO)ccc1NC(=O)C(C)(C)OC
InChIInChI=1S/C17H23NO3/c1-5-14-12-13(8-6-7-11-19)9-10-15(14)18-16(20)17(2,3)21-4/h9-10,12,19H,5,7,11H2,1-4H3,(H,18,20)
InChIKeyGWAANFWUOPRDIE-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
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-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 81287916
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021832
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 81288128
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-1,2-oxazole-3-carboxamide
CID 81287905
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021919
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021843
methyl N-[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]carbamate
CID 54966436
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide (CID 103021923) is N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide is CCc1cc(C#CCCO)ccc1NC(=O)C(C)(C)OC.
What is the InChIKey of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is GWAANFWUOPRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-14-12-13(8-6-7-11-19)9-10-15(14)18-16(20)17(2,3)21-4/h9-10,12,19H,5,7,11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103021923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).