(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide

C21H21NO3 — CID 94002234

IUPAC(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)NC[C@@H]2CCCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C21H21NO3/c23-20(19-12-15-7-2-4-11-18(15)21(24)25-19)22-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-4,6-7,10-11,16,19H,5,8-9,12-13H2,(H,22,23)/t16-,19+/m0/s1
InChIKeyQLWHGMDVWZLLLQ-QFBILLFUSA-N
MW335.40 g/mol
LogP3.00
Rot. Bonds3

About (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide

(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide (PubChem CID 94002234) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
PubChem CID94002234
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1O[C@@H](C(=O)NC[C@@H]2CCCc3ccccc32)Cc2ccccc21
InChIInChI=1S/C21H21NO3/c23-20(19-12-15-7-2-4-11-18(15)21(24)25-19)22-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-4,6-7,10-11,16,19H,5,8-9,12-13H2,(H,22,23)/t16-,19+/m0/s1
InChIKeyQLWHGMDVWZLLLQ-QFBILLFUSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155961663
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
(3S)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117580
(3R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117579
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
(3S)-N-[2-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117473
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 39514039
1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 51079964

Frequently Asked Questions

What is the IUPAC name of (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide (CID 94002234) is (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide is O=C1O[C@@H](C(=O)NC[C@@H]2CCCc3ccccc32)Cc2ccccc21.
What is the InChIKey of (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is QLWHGMDVWZLLLQ-QFBILLFUSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(19-12-15-7-2-4-11-18(15)21(24)25-19)22-13-16-9-5-8-14-6-1-3-10-17(14)16/h1-4,6-7,10-11,16,19H,5,8-9,12-13H2,(H,22,23)/t16-,19+/m0/s1.
What are the key properties of (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide?
(3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-oxo-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 94002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).