4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide

C24H29NO3 — CID 43048242

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
SMILESCC(OCCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-18(19-7-3-2-4-8-19)28-16-6-15-25-24(27)14-13-23(26)22-12-11-20-9-5-10-21(20)17-22/h2-4,7-8,11-12,17-18H,5-6,9-10,13-16H2,1H3,(H,25,27)
InChIKeyCZNLWKJLDSLUCI-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.42
Rot. Bonds10

About 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide (PubChem CID 43048242) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
PubChem CID43048242
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
SMILESCC(OCCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-18(19-7-3-2-4-8-19)28-16-6-15-25-24(27)14-13-23(26)22-12-11-20-9-5-10-21(20)17-22/h2-4,7-8,11-12,17-18H,5-6,9-10,13-16H2,1H3,(H,25,27)
InChIKeyCZNLWKJLDSLUCI-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.42
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-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 38455868
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9166700
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium
CID 9166718
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-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31115610
N-(2-benzylsulfanylethyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 31334457
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide (CID 43048242) is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide is CC(OCCCNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide?
The InChIKey is CZNLWKJLDSLUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-18(19-7-3-2-4-8-19)28-16-6-15-25-24(27)14-13-23(26)22-12-11-20-9-5-10-21(20)17-22/h2-4,7-8,11-12,17-18H,5-6,9-10,13-16H2,1H3,(H,25,27).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide?
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 4.42, 10 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)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide is sourced from PubChem (CID 43048242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).