N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C18H19NO2 — CID 110909083

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2/c20-12-17-5-2-1-4-16(17)11-19-18(21)15-9-8-13-6-3-7-14(13)10-15/h1-2,4-5,8-10,20H,3,6-7,11-12H2,(H,19,21)
InChIKeyVSJJKHQZKRRIHC-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.60
Rot. Bonds4

About N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 110909083) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID110909083
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1ccccc1CO)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2/c20-12-17-5-2-1-4-16(17)11-19-18(21)15-9-8-13-6-3-7-14(13)10-15/h1-2,4-5,8-10,20H,3,6-7,11-12H2,(H,19,21)
InChIKeyVSJJKHQZKRRIHC-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834685
N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834680
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94333773
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 110909083) is N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCc1ccccc1CO)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VSJJKHQZKRRIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-12-17-5-2-1-4-16(17)11-19-18(21)15-9-8-13-6-3-7-14(13)10-15/h1-2,4-5,8-10,20H,3,6-7,11-12H2,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 110909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).