(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide

C18H26N2O — CID 63683339

IUPAC(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC1CC2CCC1C2)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(12-16-10-14-7-8-15(16)9-14)18(21)17(19)11-13-5-3-2-4-6-13/h2-6,14-17H,7-12,19H2,1H3/t14?,15?,16?,17-/m1/s1
InChIKeyZPXKKZNBXLKVPL-VKFIQFPUSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide (PubChem CID 63683339) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
PubChem CID63683339
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC1CC2CCC1C2)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(12-16-10-14-7-8-15(16)9-14)18(21)17(19)11-13-5-3-2-4-6-13/h2-6,14-17H,7-12,19H2,1H3/t14?,15?,16?,17-/m1/s1
InChIKeyZPXKKZNBXLKVPL-VKFIQFPUSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 63681786
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide (CID 63683339) is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide is CN(CC1CC2CCC1C2)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide?
The InChIKey is ZPXKKZNBXLKVPL-VKFIQFPUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(12-16-10-14-7-8-15(16)9-14)18(21)17(19)11-13-5-3-2-4-6-13/h2-6,14-17H,7-12,19H2,1H3/t14?,15?,16?,17-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide?
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 63683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).