2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide

C20H27N3O2 — CID 135095485

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
SMILESCCc1nccn1CCNC(=O)C(C)(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C20H27N3O2/c1-4-18-21-10-12-23(18)13-11-22-19(24)20(2,3)25-17-9-8-15-6-5-7-16(15)14-17/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,22,24)
InChIKeyFHWFSHBLQYKHMD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.91
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide (PubChem CID 135095485) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
PubChem CID135095485
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
SMILESCCc1nccn1CCNC(=O)C(C)(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C20H27N3O2/c1-4-18-21-10-12-23(18)13-11-22-19(24)20(2,3)25-17-9-8-15-6-5-7-16(15)14-17/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,22,24)
InChIKeyFHWFSHBLQYKHMD-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91784475
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]propanamide
CID 124750560
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide
CID 91780881
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide;formic acid
CID 154912251
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91759660
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide (CID 135095485) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide is CCc1nccn1CCNC(=O)C(C)(C)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is FHWFSHBLQYKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-18-21-10-12-23(18)13-11-22-19(24)20(2,3)25-17-9-8-15-6-5-7-16(15)14-17/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 135095485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).