N-but-2-ynyl-4-(1H-indol-3-yl)butanamide

C16H18N2O — CID 115866866

IUPACN-but-2-ynyl-4-(1H-indol-3-yl)butanamide
SMILESCC#CCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-11-17-16(19)10-6-7-13-12-18-15-9-5-4-8-14(13)15/h4-5,8-9,12,18H,6-7,10-11H2,1H3,(H,17,19)
InChIKeyBPUCOHCXSZTGSX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds5

About N-but-2-ynyl-4-(1H-indol-3-yl)butanamide

N-but-2-ynyl-4-(1H-indol-3-yl)butanamide (PubChem CID 115866866) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-but-2-ynyl-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-(1H-indol-3-yl)butanamide
PubChem CID115866866
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-but-2-ynyl-4-(1H-indol-3-yl)butanamide
SMILESCC#CCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O/c1-2-3-11-17-16(19)10-6-7-13-12-18-15-9-5-4-8-14(13)15/h4-5,8-9,12,18H,6-7,10-11H2,1H3,(H,17,19)
InChIKeyBPUCOHCXSZTGSX-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.63
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
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-but-2-ynyl-4-(1H-indol-3-yl)butanamide (CID 115866866) is N-but-2-ynyl-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-but-2-ynyl-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-but-2-ynyl-4-(1H-indol-3-yl)butanamide is CC#CCNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-but-2-ynyl-4-(1H-indol-3-yl)butanamide?
The InChIKey is BPUCOHCXSZTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-11-17-16(19)10-6-7-13-12-18-15-9-5-4-8-14(13)15/h4-5,8-9,12,18H,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-but-2-ynyl-4-(1H-indol-3-yl)butanamide?
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 115866866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).