N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide

C16H21NO2 — CID 126798197

IUPACN-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCOCC1(NC(=O)c2cccc3c2CCC3)CCC1
InChIInChI=1S/C16H21NO2/c1-19-11-16(9-4-10-16)17-15(18)14-8-3-6-12-5-2-7-13(12)14/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,17,18)
InChIKeyTYPSIDCTVLDRHW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide

N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 126798197) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID126798197
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCOCC1(NC(=O)c2cccc3c2CCC3)CCC1
InChIInChI=1S/C16H21NO2/c1-19-11-16(9-4-10-16)17-15(18)14-8-3-6-12-5-2-7-13(12)14/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,17,18)
InChIKeyTYPSIDCTVLDRHW-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-[4-(2,3-dihydro-1H-indene-4-carbonylamino)oxan-4-yl]acetic acid
CID 120686745
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
2-[1-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)cyclobutyl]acetic acid
CID 104558779
(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 129469474
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
CID 118793092
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
CID 126450863
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide (CID 126798197) is N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide is COCC1(NC(=O)c2cccc3c2CCC3)CCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is TYPSIDCTVLDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-11-16(9-4-10-16)17-15(18)14-8-3-6-12-5-2-7-13(12)14/h3,6,8H,2,4-5,7,9-11H2,1H3,(H,17,18).
What are the key properties of N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 126798197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).