4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide

C18H26N2O2 — CID 94314016

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
SMILESCN(C)CCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O2/c1-20(2)12-4-11-19-18(22)10-9-17(21)16-8-7-14-5-3-6-15(14)13-16/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeySDQQJMJSOQMSNP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.21
Rot. Bonds8

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide (PubChem CID 94314016) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
PubChem CID94314016
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
SMILESCN(C)CCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O2/c1-20(2)12-4-11-19-18(22)10-9-17(21)16-8-7-14-5-3-6-15(14)13-16/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeySDQQJMJSOQMSNP-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
4-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51176726
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
CID 43048242
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
CID 32735771
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31115610
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 38455868

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide (CID 94314016) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide is CN(C)CCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide?
The InChIKey is SDQQJMJSOQMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20(2)12-4-11-19-18(22)10-9-17(21)16-8-7-14-5-3-6-15(14)13-16/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide is sourced from PubChem (CID 94314016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).