3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C20H24N2O — CID 119707661

IUPAC3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C20H24N2O/c1-22(20(23)18-14-9-10-15(11-14)19(18)21)12-16-7-4-6-13-5-2-3-8-17(13)16/h2-8,14-15,18-19H,9-12,21H2,1H3
InChIKeyAVCJECPUZBAVDI-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119707661) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119707661
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C20H24N2O/c1-22(20(23)18-14-9-10-15(11-14)19(18)21)12-16-7-4-6-13-5-2-3-8-17(13)16/h2-8,14-15,18-19H,9-12,21H2,1H3
InChIKeyAVCJECPUZBAVDI-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
3-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119723153
(1S,2S,3R,4S)-3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 124865231
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766866
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119683098
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64517474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119707661) is 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is CN(Cc1cccc2ccccc12)C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AVCJECPUZBAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22(20(23)18-14-9-10-15(11-14)19(18)21)12-16-7-4-6-13-5-2-3-8-17(13)16/h2-8,14-15,18-19H,9-12,21H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119707661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).