N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide

C18H26N2O2 — CID 91838658

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOC[C@@H]1CCCN1CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O2/c1-22-13-17-6-3-10-20(17)11-9-18(21)19-16-8-7-14-4-2-5-15(14)12-16/h7-8,12,17H,2-6,9-11,13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPNEVSMZWDBSBCS-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.61
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 91838658) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID91838658
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide
SMILESCOC[C@@H]1CCCN1CCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O2/c1-22-13-17-6-3-10-20(17)11-9-18(21)19-16-8-7-14-4-2-5-15(14)12-16/h7-8,12,17H,2-6,9-11,13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPNEVSMZWDBSBCS-KRWDZBQOSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propanamide
CID 124758101
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(3-ethylphenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 50978943
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide (CID 91838658) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide is COC[C@@H]1CCCN1CCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is PNEVSMZWDBSBCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-13-17-6-3-10-20(17)11-9-18(21)19-16-8-7-14-4-2-5-15(14)12-16/h7-8,12,17H,2-6,9-11,13H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 91838658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).