ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate

C17H23NO3 — CID 60645837

IUPACethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)7-4-10-18-16(19)12-13-8-9-14-5-3-6-15(14)11-13/h8-9,11H,2-7,10,12H2,1H3,(H,18,19)
InChIKeyAWDPVHGNBBTVCW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.18
Rot. Bonds7

About ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate

ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate (PubChem CID 60645837) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
PubChem CID60645837
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)7-4-10-18-16(19)12-13-8-9-14-5-3-6-15(14)11-13/h8-9,11H,2-7,10,12H2,1H3,(H,18,19)
InChIKeyAWDPVHGNBBTVCW-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.18
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

ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
CID 37259431
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate (CID 60645837) is ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate is CCOC(=O)CCCNC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate?
The InChIKey is AWDPVHGNBBTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-17(20)7-4-10-18-16(19)12-13-8-9-14-5-3-6-15(14)11-13/h8-9,11H,2-7,10,12H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate?
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate has a molecular weight of 289.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate is sourced from PubChem (CID 60645837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).