N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide

C19H20N2O — CID 90552098

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC#Cc1ccccc1N(C)C
InChIInChI=1S/C19H20N2O/c1-15-9-4-6-12-17(15)19(22)20-14-8-11-16-10-5-7-13-18(16)21(2)3/h4-7,9-10,12-13H,14H2,1-3H3,(H,20,22)
InChIKeyLZVHWIMKRRWJHZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.84
Rot. Bonds3

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide (PubChem CID 90552098) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
PubChem CID90552098
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC#Cc1ccccc1N(C)C
InChIInChI=1S/C19H20N2O/c1-15-9-4-6-12-17(15)19(22)20-14-8-11-16-10-5-7-13-18(16)21(2)3/h4-7,9-10,12-13H,14H2,1-3H3,(H,20,22)
InChIKeyLZVHWIMKRRWJHZ-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide (CID 90552098) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC#Cc1ccccc1N(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide?
The InChIKey is LZVHWIMKRRWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-15-9-4-6-12-17(15)19(22)20-14-8-11-16-10-5-7-13-18(16)21(2)3/h4-7,9-10,12-13H,14H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide is sourced from PubChem (CID 90552098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).