N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide

C22H23N3O — CID 90551768

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide
SMILESCN(C)c1ccc(C#CCNC(=O)Cc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-24(2)19-12-10-17(11-13-19)7-6-14-23-22(26)15-18-16-25(3)21-9-5-4-8-20(18)21/h4-5,8-13,16H,14-15H2,1-3H3,(H,23,26)
InChIKeyLAKZEGMAGNEIKR-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.95
Rot. Bonds4

About N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 90551768) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID90551768
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide
SMILESCN(C)c1ccc(C#CCNC(=O)Cc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-24(2)19-12-10-17(11-13-19)7-6-14-23-22(26)15-18-16-25(3)21-9-5-4-8-20(18)21/h4-5,8-13,16H,14-15H2,1-3H3,(H,23,26)
InChIKeyLAKZEGMAGNEIKR-UHFFFAOYSA-N
XLogP2.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]acetamide
CID 90551897
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-ynyl]-2-(1-methylindol-3-yl)acetamide
CID 71792770
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide (CID 90551768) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide is CN(C)c1ccc(C#CCNC(=O)Cc2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is LAKZEGMAGNEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24(2)19-12-10-17(11-13-19)7-6-14-23-22(26)15-18-16-25(3)21-9-5-4-8-20(18)21/h4-5,8-13,16H,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 90551768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).