3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride

C17H25ClN2O — CID 119950772

IUPAC3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H24N2O.ClH/c18-16(13-4-2-1-3-5-13)10-17(20)19-11-15-9-12-6-7-14(15)8-12;/h1-5,12,14-16H,6-11,18H2,(H,19,20);1H
InChIKeyHCAIOUOGMOTGKN-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119950772) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119950772
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H24N2O.ClH/c18-16(13-4-2-1-3-5-13)10-17(20)19-11-15-9-12-6-7-14(15)8-12;/h1-5,12,14-16H,6-11,18H2,(H,19,20);1H
InChIKeyHCAIOUOGMOTGKN-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride (CID 119950772) is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is HCAIOUOGMOTGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-16(13-4-2-1-3-5-13)10-17(20)19-11-15-9-12-6-7-14(15)8-12;/h1-5,12,14-16H,6-11,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).