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

C14H17NO2 — CID 54922436

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H17NO2/c1-11(2)14(17)15-13-8-6-12(7-9-13)5-3-4-10-16/h6-9,11,16H,4,10H2,1-2H3,(H,15,17)
InChIKeyGOOXRDRPNLTRQQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.02
Rot. Bonds3

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

N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide (PubChem CID 54922436) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
PubChem CID54922436
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H17NO2/c1-11(2)14(17)15-13-8-6-12(7-9-13)5-3-4-10-16/h6-9,11,16H,4,10H2,1-2H3,(H,15,17)
InChIKeyGOOXRDRPNLTRQQ-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
[4-(5-hydroxypent-1-ynyl)phenyl]carbamic acid
CID 22678091
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 54922638
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-phenylethynyl)benzamide
CID 39723048
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 54922388
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide (CID 54922436) is N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide?
The InChIKey is GOOXRDRPNLTRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(2)14(17)15-13-8-6-12(7-9-13)5-3-4-10-16/h6-9,11,16H,4,10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide has a molecular weight of 231.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 54922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).