N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide

C16H21NO2 — CID 91631259

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)Cc2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-19-16(11-17-15(18)12-7-4-8-12)9-13-5-2-3-6-14(13)10-16/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyULIKJIJLFAOXHO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide (PubChem CID 91631259) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide
PubChem CID91631259
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)Cc2ccccc2C1
InChIInChI=1S/C16H21NO2/c1-19-16(11-17-15(18)12-7-4-8-12)9-13-5-2-3-6-14(13)10-16/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)
InChIKeyULIKJIJLFAOXHO-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-2-phenylbutyl)cyclobutanecarboxamide
CID 71810720
3-(2-fluorophenyl)-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]propanamide
CID 91631320
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 91631323
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)tetrahydrofuran-3-carboxamide
CID 91631196
1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
CID 91631197
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91631305
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide (CID 91631259) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide is COC1(CNC(=O)C2CCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide?
The InChIKey is ULIKJIJLFAOXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-16(11-17-15(18)12-7-4-8-12)9-13-5-2-3-6-14(13)10-16/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 91631259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).