N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide

C14H18N2O2 — CID 47109240

IUPACN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-11(17)15-9-4-7-14(18)16-10-8-12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,15,17)
InChIKeyIOOXJMCTEZCRRX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.49
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide

N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide (PubChem CID 47109240) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
PubChem CID47109240
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-11(17)15-9-4-7-14(18)16-10-8-12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,15,17)
InChIKeyIOOXJMCTEZCRRX-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111560381
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
CID 119323918
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propan-2-ylguanidine
CID 111827403
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
CID 72691195
3-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-phenylpropanamide
CID 119784082
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111560368

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide (CID 47109240) is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The InChIKey is IOOXJMCTEZCRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)15-9-4-7-14(18)16-10-8-12-5-2-3-6-13(12)16/h2-3,5-6H,4,7-10H2,1H3,(H,15,17).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide is sourced from PubChem (CID 47109240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).