ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate

C18H19NO2 — CID 43321711

IUPACethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
SMILESCCOC(=O)c1ccc(NC2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(20)14-7-10-15(11-8-14)19-17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17,19H,2,9,12H2,1H3
InChIKeyQIUVVHWJSQGTPN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds4

About ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate

ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate (PubChem CID 43321711) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
PubChem CID43321711
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
SMILESCCOC(=O)c1ccc(NC2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-21-18(20)14-7-10-15(11-8-14)19-17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17,19H,2,9,12H2,1H3
InChIKeyQIUVVHWJSQGTPN-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66825773
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate
CID 9210778
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
ethyl 4-[[2-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxoacetyl]amino]benzoate
CID 7470331
ethyl 4-[[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92770835
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethylbenzoate
CID 2606918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate?
The IUPAC name of ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate (CID 43321711) is ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate.
What is the SMILES notation for ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate?
The canonical SMILES for ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate is CCOC(=O)c1ccc(NC2CCc3ccccc32)cc1.
What is the InChIKey of ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate?
The InChIKey is QIUVVHWJSQGTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-18(20)14-7-10-15(11-8-14)19-17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17,19H,2,9,12H2,1H3.
What are the key properties of ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate?
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate is sourced from PubChem (CID 43321711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).