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

C17H16N2O2 — CID 60803244

IUPACN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C#CCN)cc2)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-6-2-5-14(12-16)17(20)19-15-9-7-13(8-10-15)4-3-11-18/h2,5-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyKGQUIZWSNBTELA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.26
Rot. Bonds3

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

N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide (PubChem CID 60803244) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
PubChem CID60803244
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C#CCN)cc2)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-6-2-5-14(12-16)17(20)19-15-9-7-13(8-10-15)4-3-11-18/h2,5-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyKGQUIZWSNBTELA-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-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-3-methylbenzamide
CID 63211851
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide (CID 60803244) is N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C#CCN)cc2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide?
The InChIKey is KGQUIZWSNBTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-6-2-5-14(12-16)17(20)19-15-9-7-13(8-10-15)4-3-11-18/h2,5-10,12H,11,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide?
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-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-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 60803244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).