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

C17H16N2O2 — CID 60802368

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C17H16N2O2/c1-21-16-11-5-3-9-14(16)17(20)19-15-10-4-2-7-13(15)8-6-12-18/h2-5,7,9-11H,12,18H2,1H3,(H,19,20)
InChIKeyYSMQTQFMONTVSX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.26
Rot. Bonds3

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

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide (PubChem CID 60802368) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
PubChem CID60802368
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C17H16N2O2/c1-21-16-11-5-3-9-14(16)17(20)19-15-10-4-2-7-13(15)8-6-12-18/h2-5,7,9-11H,12,18H2,1H3,(H,19,20)
InChIKeyYSMQTQFMONTVSX-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.26
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-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802580
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-3-carboxamide
CID 79696317
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
2-methoxybenzohydrazide
CID 24051
phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
CID 60813930

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide (CID 60802368) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The InChIKey is YSMQTQFMONTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-11-5-3-9-14(16)17(20)19-15-10-4-2-7-13(15)8-6-12-18/h2-5,7,9-11H,12,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 60802368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).