N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide

C17H15NO3 — CID 60802229

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C#CCO)cc1
InChIInChI=1S/C17H15NO3/c1-21-15-10-8-14(9-11-15)17(20)18-16-7-3-2-5-13(16)6-4-12-19/h2-3,5,7-11,19H,12H2,1H3,(H,18,20)
InChIKeyPACUTSRGPZNBOO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide (PubChem CID 60802229) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
PubChem CID60802229
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C#CCO)cc1
InChIInChI=1S/C17H15NO3/c1-21-15-10-8-14(9-11-15)17(20)18-16-7-3-2-5-13(16)6-4-12-19/h2-3,5,7-11,19H,12H2,1H3,(H,18,20)
InChIKeyPACUTSRGPZNBOO-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

4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide (CID 60802229) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C#CCO)cc1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
The InChIKey is PACUTSRGPZNBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-15-10-8-14(9-11-15)17(20)18-16-7-3-2-5-13(16)6-4-12-19/h2-3,5,7-11,19H,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide?
N-[2-(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-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 60802229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).