(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide

C16H21NO2 — CID 7378858

IUPAC(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C16H21NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,17,18)/t15-/m1/s1
InChIKeySVXGQPZFUQWTMW-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds2

About (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide

(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 7378858) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID7378858
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1OCCc2ccccc21
InChIInChI=1S/C16H21NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,17,18)/t15-/m1/s1
InChIKeySVXGQPZFUQWTMW-OAHLLOKOSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829364
N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 91626313
(1R)-N-cyclohexylsulfonyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 99714516
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114695004
1-(3,4-dihydro-1H-isochromene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 119994934
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 55084255
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994997
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
N-(3-amino-2,2-difluoropropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114383356
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119994996

Frequently Asked Questions

What is the IUPAC name of (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 7378858) is (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NC1CCCCC1)[C@@H]1OCCc2ccccc21.
What is the InChIKey of (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is SVXGQPZFUQWTMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(17-13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-19-15/h4-6,9,13,15H,1-3,7-8,10-11H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide?
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 7378858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).