N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide

C18H19NO2 — CID 2870138

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(12-14-6-2-1-3-7-14)19-13-17-16-9-5-4-8-15(16)10-11-21-17/h1-9,17H,10-13H2,(H,19,20)
InChIKeyLRKILKISFARFOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.66
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide (PubChem CID 2870138) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
PubChem CID2870138
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1OCCc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(12-14-6-2-1-3-7-14)19-13-17-16-9-5-4-8-15(16)10-11-21-17/h1-9,17H,10-13H2,(H,19,20)
InChIKeyLRKILKISFARFOI-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide (CID 2870138) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide?
The InChIKey is LRKILKISFARFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(12-14-6-2-1-3-7-14)19-13-17-16-9-5-4-8-15(16)10-11-21-17/h1-9,17H,10-13H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide has a molecular weight of 281.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 2870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).