2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide

C23H28N2O3 — CID 91780881

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C23H28N2O3/c1-23(2,28-19-10-9-15-6-5-7-16(15)14-19)22(27)25-21(17-12-18(26)13-17)20-8-3-4-11-24-20/h3-4,8-11,14,17-18,21,26H,5-7,12-13H2,1-2H3,(H,25,27)
InChIKeyIIGKKNLDQSWPNV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide (PubChem CID 91780881) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide
PubChem CID91780881
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C23H28N2O3/c1-23(2,28-19-10-9-15-6-5-7-16(15)14-19)22(27)25-21(17-12-18(26)13-17)20-8-3-4-11-24-20/h3-4,8-11,14,17-18,21,26H,5-7,12-13H2,1-2H3,(H,25,27)
InChIKeyIIGKKNLDQSWPNV-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
CID 82129231
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3-pyrazin-2-ylpropanamide
CID 91771364
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51152064
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-ethylimidazol-1-yl)ethyl]-2-methylpropanamide
CID 135095485
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 136704467
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide (CID 91780881) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide?
The InChIKey is IIGKKNLDQSWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,28-19-10-9-15-6-5-7-16(15)14-19)22(27)25-21(17-12-18(26)13-17)20-8-3-4-11-24-20/h3-4,8-11,14,17-18,21,26H,5-7,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 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-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylpropanamide is sourced from PubChem (CID 91780881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).