N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide

C22H21NO2 — CID 71782153

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(O)CCc2ccccc21
InChIInChI=1S/C22H21NO2/c24-21(14-18-9-5-8-16-6-1-3-10-19(16)18)23-15-22(25)13-12-17-7-2-4-11-20(17)22/h1-11,25H,12-15H2,(H,23,24)
InChIKeyILXMLBWKGCWRIF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.33
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide (PubChem CID 71782153) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
PubChem CID71782153
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(O)CCc2ccccc21
InChIInChI=1S/C22H21NO2/c24-21(14-18-9-5-8-16-6-1-3-10-19(16)18)23-15-22(25)13-12-17-7-2-4-11-20(17)22/h1-11,25H,12-15H2,(H,23,24)
InChIKeyILXMLBWKGCWRIF-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
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-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide (CID 71782153) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ILXMLBWKGCWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21(14-18-9-5-8-16-6-1-3-10-19(16)18)23-15-22(25)13-12-17-7-2-4-11-20(17)22/h1-11,25H,12-15H2,(H,23,24).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.33, 4 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]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 71782153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).