4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide

C17H16N2O — CID 142957986

IUPAC4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide
SMILESCNc1ccc(C(N)=O)cc1CC#Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-19-16-11-10-15(17(18)20)12-14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,19H,9H2,1H3,(H2,18,20)
InChIKeyTVXJPMSYAAZFEK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.42
Rot. Bonds3

About 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide

4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide (PubChem CID 142957986) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide
PubChem CID142957986
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide
SMILESCNc1ccc(C(N)=O)cc1CC#Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-19-16-11-10-15(17(18)20)12-14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,19H,9H2,1H3,(H2,18,20)
InChIKeyTVXJPMSYAAZFEK-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.42
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

4-(2-phenylethynyl)benzamide
CID 23130608
4-iodo-3-(methylamino)benzamide
CID 131403520
N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide
CID 67762654
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606
4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide
CID 90549829
2-(3-phenylprop-2-ynyl)aniline
CID 46849273
methyl 4-(1-hydroxy-4-phenylbut-3-ynyl)benzoate
CID 71419584
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
4-(3-cyanoprop-1-ynyl)benzamide
CID 170474912
4-(3-anilinophenyl)but-3-ynamide
CID 170474005

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide (CID 142957986) is 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide is CNc1ccc(C(N)=O)cc1CC#Cc1ccccc1.
What is the InChIKey of 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is TVXJPMSYAAZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19-16-11-10-15(17(18)20)12-14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,19H,9H2,1H3,(H2,18,20).
What are the key properties of 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide?
4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 142957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).