N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C17H23NO2 — CID 125434835

IUPACN-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC[C@H]1CCCOC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c19-17(18-9-8-13-3-2-10-20-12-13)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13H,1-5,8-10,12H2,(H,18,19)/t13-/m1/s1
InChIKeyKMOGUGIFOGXESP-CYBMUJFWSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 125434835) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID125434835
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC[C@H]1CCCOC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO2/c19-17(18-9-8-13-3-2-10-20-12-13)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13H,1-5,8-10,12H2,(H,18,19)/t13-/m1/s1
InChIKeyKMOGUGIFOGXESP-CYBMUJFWSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95874324
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 55102214
N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide
CID 141276868
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 125434835) is N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC[C@H]1CCCOC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is KMOGUGIFOGXESP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(18-9-8-13-3-2-10-20-12-13)16-7-6-14-4-1-5-15(14)11-16/h6-7,11,13H,1-5,8-10,12H2,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 125434835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).