N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide

C17H15NO3 — CID 60803282

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#CCO)cc2)cc1
InChIInChI=1S/C17H15NO3/c1-21-16-10-6-14(7-11-16)17(20)18-15-8-4-13(5-9-15)3-2-12-19/h4-11,19H,12H2,1H3,(H,18,20)
InChIKeyQGCGMNJCQAPUPO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.29
Rot. Bonds3

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide (PubChem CID 60803282) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
PubChem CID60803282
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#CCO)cc2)cc1
InChIInChI=1S/C17H15NO3/c1-21-16-10-6-14(7-11-16)17(20)18-15-8-4-13(5-9-15)3-2-12-19/h4-11,19H,12H2,1H3,(H,18,20)
InChIKeyQGCGMNJCQAPUPO-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.29
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

1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide (CID 60803282) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C#CCO)cc2)cc1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The InChIKey is QGCGMNJCQAPUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-16-10-6-14(7-11-16)17(20)18-15-8-4-13(5-9-15)3-2-12-19/h4-11,19H,12H2,1H3,(H,18,20).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide has a molecular weight of 281.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 60803282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).