propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate

C18H25NO3 — CID 169061045

IUPACpropan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate
SMILESC=C(OCC)c1ccc2c(c1)CCC2NCC(=O)OC(C)C
InChIInChI=1S/C18H25NO3/c1-5-21-13(4)14-6-8-16-15(10-14)7-9-17(16)19-11-18(20)22-12(2)3/h6,8,10,12,17,19H,4-5,7,9,11H2,1-3H3
InChIKeyDDNDFYTUPUHIDQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.22
Rot. Bonds7

About propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate

propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate (PubChem CID 169061045) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate
PubChem CID169061045
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namepropan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate
SMILESC=C(OCC)c1ccc2c(c1)CCC2NCC(=O)OC(C)C
InChIInChI=1S/C18H25NO3/c1-5-21-13(4)14-6-8-16-15(10-14)7-9-17(16)19-11-18(20)22-12(2)3/h6,8,10,12,17,19H,4-5,7,9,11H2,1-3H3
InChIKeyDDNDFYTUPUHIDQ-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate (CID 169061045) is propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate is C=C(OCC)c1ccc2c(c1)CCC2NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate?
The InChIKey is DDNDFYTUPUHIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-5-21-13(4)14-6-8-16-15(10-14)7-9-17(16)19-11-18(20)22-12(2)3/h6,8,10,12,17,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate?
propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate has a molecular weight of 303.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-(1-ethoxyethenyl)-2,3-dihydro-1H-inden-1-yl]amino]acetate is sourced from PubChem (CID 169061045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).