N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

C20H29ClN2O — CID 118718258

IUPACN-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1.Cl
InChIInChI=1S/C20H28N2O.ClH/c1-2-20(23)22(16-6-4-3-5-7-16)19-12-17-10-11-18(13-19)21(17)14-15-8-9-15;/h3-7,15,17-19H,2,8-14H2,1H3;1H/t17-,18+,19?;
InChIKeySKHJRMJHSOYFBO-FMJRHHGGSA-N
MW348.92 g/mol
LogP4.26
Rot. Bonds5

About N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 118718258) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
PubChem CID118718258
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC NameN-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1.Cl
InChIInChI=1S/C20H28N2O.ClH/c1-2-20(23)22(16-6-4-3-5-7-16)19-12-17-10-11-18(13-19)21(17)14-15-8-9-15;/h3-7,15,17-19H,2,8-14H2,1H3;1H/t17-,18+,19?;
InChIKeySKHJRMJHSOYFBO-FMJRHHGGSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (CID 118718258) is N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is CCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1.Cl.
What is the InChIKey of N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is SKHJRMJHSOYFBO-FMJRHHGGSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c1-2-20(23)22(16-6-4-3-5-7-16)19-12-17-10-11-18(13-19)21(17)14-15-8-9-15;/h3-7,15,17-19H,2,8-14H2,1H3;1H/t17-,18+,19?;.
What are the key properties of N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 118718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).