N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide

C20H23NO2 — CID 90499010

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-19(12-6-9-16-7-2-1-3-8-16)21-15-20(23)14-13-17-10-4-5-11-18(17)20/h1-5,7-8,10-11,23H,6,9,12-15H2,(H,21,22)
InChIKeyRSBOZWPZGLEWAR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.96
Rot. Bonds6

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide (PubChem CID 90499010) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
PubChem CID90499010
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-19(12-6-9-16-7-2-1-3-8-16)21-15-20(23)14-13-17-10-4-5-11-18(17)20/h1-5,7-8,10-11,23H,6,9,12-15H2,(H,21,22)
InChIKeyRSBOZWPZGLEWAR-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzenesulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]propanamide
CID 95983137
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-phenylsulfanylpropanamide
CID 95983109
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(3-nitrophenyl)propanamide
CID 122138174
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(3-nitrophenyl)propanamide
CID 124594849
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90499051
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 111110506

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide (CID 90499010) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide?
The InChIKey is RSBOZWPZGLEWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19(12-6-9-16-7-2-1-3-8-16)21-15-20(23)14-13-17-10-4-5-11-18(17)20/h1-5,7-8,10-11,23H,6,9,12-15H2,(H,21,22).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide has a molecular weight of 309.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 90499010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).