N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide

C17H16N2O — CID 63334197

IUPACN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1C#CCN
InChIInChI=1S/C17H16N2O/c1-13-9-10-16(12-15(13)8-5-11-18)19-17(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyVYEBTLGTKBEVBK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.56
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide (PubChem CID 63334197) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
PubChem CID63334197
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1C#CCN
InChIInChI=1S/C17H16N2O/c1-13-9-10-16(12-15(13)8-5-11-18)19-17(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyVYEBTLGTKBEVBK-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922475
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethylphenyl)thiophene-3-carboxamide
CID 79695981
1-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopropylurea
CID 55203285
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
3-(3-aminoprop-1-ynyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 60821177
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 62813798
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-cyclohexylacetamide
CID 63333889

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide (CID 63334197) is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1C#CCN.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide?
The InChIKey is VYEBTLGTKBEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-9-10-16(12-15(13)8-5-11-18)19-17(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide?
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 63334197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).