N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide

C19H24N2O — CID 71559639

IUPACN-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1
InChIInChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
InChIKeyVFPXTPUNANYVKT-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.68
Rot. Bonds1

About N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide

N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 71559639) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID71559639
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1
InChIInChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
InChIKeyVFPXTPUNANYVKT-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
1-(1-Adamantyl)-3-benzylurea
CID 3758167
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-ylmethyl)-urea
CID 24849909
5-(1-(biphenyl-4-ylmethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5a)
CID 131635605
1-(1-Adamantyl)-3-[(4-methylphenyl)methyl]urea
CID 5237347
Benzyl-dimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125533
N-(2-adamantyl)-2-phenylpiperidine-1-carboxamide
CID 46231439
1-(2-Adamantyl)-3-benzyl-urea
CID 56669513
N-(4-phenylbutyl)-1,3-dihydroisoindole-2-carboxamide
CID 57509976
N-octyl-1,3-dihydroisoindole-2-carboxamide
CID 57509979
3-(3-Adamantan-1-yl-ureido)-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid benzylamide
CID 3220684

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide (CID 71559639) is N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1.
What is the InChIKey of N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is VFPXTPUNANYVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22).
What are the key properties of N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide?
N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 71559639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).