N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide

C17H17NO3 — CID 60802341

IUPACN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#CCCO)ccc2C)o1
InChIInChI=1S/C17H17NO3/c1-12-6-8-14(5-3-4-10-19)11-15(12)18-17(20)16-9-7-13(2)21-16/h6-9,11,19H,4,10H2,1-2H3,(H,18,20)
InChIKeyUJHYBGLOBKRRLY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds3

About N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide

N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide (PubChem CID 60802341) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
PubChem CID60802341
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C#CCCO)ccc2C)o1
InChIInChI=1S/C17H17NO3/c1-12-6-8-14(5-3-4-10-19)11-15(12)18-17(20)16-9-7-13(2)21-16/h6-9,11,19H,4,10H2,1-2H3,(H,18,20)
InChIKeyUJHYBGLOBKRRLY-UHFFFAOYSA-N
XLogP2.88
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
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-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021843
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
CID 60803544
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 63079979
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66336179
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide (CID 60802341) is N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C#CCCO)ccc2C)o1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide?
The InChIKey is UJHYBGLOBKRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-6-8-14(5-3-4-10-19)11-15(12)18-17(20)16-9-7-13(2)21-16/h6-9,11,19H,4,10H2,1-2H3,(H,18,20).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide?
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 60802341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).