ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate

C17H23NO3 — CID 61021441

IUPACethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C17H23NO3/c1-4-21-16(19)11-18(12(2)3)17(20)15-9-8-13-6-5-7-14(13)10-15/h8-10,12H,4-7,11H2,1-3H3
InChIKeyGGXKXWVKVQKEQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate

ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate (PubChem CID 61021441) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
PubChem CID61021441
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C17H23NO3/c1-4-21-16(19)11-18(12(2)3)17(20)15-9-8-13-6-5-7-14(13)10-15/h8-10,12H,4-7,11H2,1-3H3
InChIKeyGGXKXWVKVQKEQT-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 96531858
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
N-(4-aminobutan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 63225271
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
ethyl 2-[(2-amino-4-bromobenzoyl)-propan-2-ylamino]acetate
CID 79723037
ethyl 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoate
CID 91173262
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate (CID 61021441) is ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc2c(c1)CCC2)C(C)C.
What is the InChIKey of ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is GGXKXWVKVQKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-21-16(19)11-18(12(2)3)17(20)15-9-8-13-6-5-7-14(13)10-15/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate?
ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 289.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 61021441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).