N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide

C16H21NO3 — CID 90635825

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)C1CCOC1
InChIInChI=1S/C16H21NO3/c1-17(16(18)14-6-7-19-10-14)9-15-8-12-4-2-3-5-13(12)11-20-15/h2-5,14-15H,6-11H2,1H3
InChIKeyXKVHXROFGHTYAR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.62
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide (PubChem CID 90635825) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
PubChem CID90635825
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(CC1Cc2ccccc2CO1)C(=O)C1CCOC1
InChIInChI=1S/C16H21NO3/c1-17(16(18)14-6-7-19-10-14)9-15-8-12-4-2-3-5-13(12)11-20-15/h2-5,14-15H,6-11H2,1H3
InChIKeyXKVHXROFGHTYAR-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
CID 90635601
2-chloro-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylbenzamide
CID 90635647
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,2-diphenylacetamide
CID 90635704
3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
CID 90635862
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 90635834
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 90635671
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 100752197
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91626554
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-naphthalen-1-ylurea
CID 90635907
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-(4-hydroxyphenyl)-N-methylbutanamide
CID 166365166
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-ethoxyphenyl)-N-methylacetamide
CID 90635698

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide (CID 90635825) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide is CN(CC1Cc2ccccc2CO1)C(=O)C1CCOC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is XKVHXROFGHTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(16(18)14-6-7-19-10-14)9-15-8-12-4-2-3-5-13(12)11-20-15/h2-5,14-15H,6-11H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 90635825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).