N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide

C22H20N2O — CID 90552148

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-24(2)21-15-6-4-10-18(21)12-8-16-23-22(25)20-14-7-11-17-9-3-5-13-19(17)20/h3-7,9-11,13-15H,16H2,1-2H3,(H,23,25)
InChIKeyNQARLEBZYGNTQQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.69
Rot. Bonds3

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide (PubChem CID 90552148) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
PubChem CID90552148
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-24(2)21-15-6-4-10-18(21)12-8-16-23-22(25)20-14-7-11-17-9-3-5-13-19(17)20/h3-7,9-11,13-15H,16H2,1-2H3,(H,23,25)
InChIKeyNQARLEBZYGNTQQ-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
CID 90552098
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
CID 90552151
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90552032
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552242
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
CID 90554402
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
CID 90552168
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-phenylpropyl)urea
CID 90554436
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90552025
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide (CID 90552148) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide is CN(C)c1ccccc1C#CCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide?
The InChIKey is NQARLEBZYGNTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-24(2)21-15-6-4-10-18(21)12-8-16-23-22(25)20-14-7-11-17-9-3-5-13-19(17)20/h3-7,9-11,13-15H,16H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.69, 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]naphthalene-1-carboxamide is sourced from PubChem (CID 90552148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).