N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide

C17H20N2O — CID 58790355

IUPACN-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(C)C#CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2,3)9-6-10-18-16(20)11-13-12-19-15-8-5-4-7-14(13)15/h4-5,7-8,12,19H,10-11H2,1-3H3,(H,18,20)
InChIKeyNPHXHCSLTFTYPV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.88
Rot. Bonds3

About N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide

N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 58790355) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
PubChem CID58790355
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
SMILESCC(C)(C)C#CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2,3)9-6-10-18-16(20)11-13-12-19-15-8-5-4-7-14(13)15/h4-5,7-8,12,19H,10-11H2,1-3H3,(H,18,20)
InChIKeyNPHXHCSLTFTYPV-UHFFFAOYSA-N
XLogP2.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
3-hydroxy-4-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 66002723
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide (CID 58790355) is N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide is CC(C)(C)C#CCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is NPHXHCSLTFTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)9-6-10-18-16(20)11-13-12-19-15-8-5-4-7-14(13)15/h4-5,7-8,12,19H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide?
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 58790355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).